SCHEMBL187469

SCHEMBL187469

N#CC1(c2ccccc2)CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.55
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
HTR2A P28223 1/20 0.47
OPRD1 P41143 1/20 0.46
OPRL1 P41146 3/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TACR1 P25103 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL315411 0.98 OPRM1 (0.53) OPRM1CA12CA1CA2CA9
Water SCHEMBL8580355 0.96 OPRM1 (0.52) OPRM1CA12CA1CA2CA9
Propylamine SCHEMBL7962629 0.87 OPRM1 (0.46) OPRM1CA12CA1CA2CA9
Trifluoroacetic Acid SCHEMBL30369525 0.86 MEN1 (0.43) OPRM1CA12CA1CA2CA9
Propionic Acid SCHEMBL6476615 0.86 OPRM1 (0.49) OPRM1CA12CA1CA2CA9
SCHEMBL432561 0.85 OPRM1 (0.59) OPRM1CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL14343612 0.84 OPRD1 (0.46) OPRM1CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL8846380 0.84 AKR1C1 (0.50) OPRM1CA12CA1CA2CA9
SCHEMBL872608 0.81 OPRM1 (0.56) OPRM1CA12CA1CA2CA9
SCHEMBL56575 0.81 NPC1 (0.57) OPRM1CA12CA1CA2CA9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 628 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111423358-A Doudantin artificial antigen and preparation method thereof 杭州博拓生物科技股份有限公司 2020-07-17 CN claimed
EP-1831206-B1 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS AND COMBINATORIAL BENZIMIDAZOLE LIBRARY OSI PHARM INC (US) 2011-08-24 EP claimed
EP-1646659-A2 IMPROVED PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF Neurochem (International) Limited (CH) 2006-04-19 EP claimed
WO-2004113391-A2 IMPROVED PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2004-12-29 WO claimed
CN-1067989-C Novel compounds with analgesic and local anaesthetic effect ASTRA AB (SE) 2001-07-04 CN claimed
EP-1077973-A2 BENZOFURAN DERIVATIVES, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND A PROCESS FOR THE PREPARATION OF THE ACTIVE INGREDIENT EGIS GYOGYSZERGYAR RT. (HU) 2001-02-28 EP claimed
US-6194448-B1 ANTIINFLAMMATORY AGENTS; ASTHMA; RHEUMATIC DISORDERS TEXAS BIOTECHNOLOGY CORPORATION 2001-02-27 US claimed
EP-0743940-B1 NEW COMPOUNDS WITH ANALGESIC AND LOCAL ANAESTHETIC EFFECT ASTRA AB (SE) 2000-05-03 EP claimed
WO-1999058527-A2 BENZOFURAN DERIVATIVES, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND A PROCESS FOR THE PREPARATION OF THE ACTIVE INGREDIENT EGIS Gyógyszergyár Rt. (HU) 1999-11-18 WO claimed
US-5756520-A N-SUBSTITUTED 4-PHENYL-4-CARBOXAMIDE-PIPERIDINE COMPOUNDS ARE ADMINISTERED EPIDURALLY OR INTRATHECALLY FOR CONTROLLING NERVE BLOCKADE IN HUMANS ASTRA AB (SE) 1998-05-26 US claimed
WO-1995021821-A1 NEW COMPOUNDS WITH ANALGESIC AND LOCAL ANAESTHETIC EFFECT ASTRA AKTIEBOLAG (SE) 1995-08-17 WO claimed
EP-0178947-B1 1-[(Aminoalkyl and aminoalkylamino)carbonyl and thiocarbonyl]-alpha,alpha-diarylpyrrolidine, piperidine and homopiperidineacetamides and acetonitriles A.H. ROBINS COMPANY, INCORPORATED (US) 1990-09-26 EP claimed
US-4812451-A ANTIARRHYTHMIA AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-14 US claimed
US-4810703-A ANTIARRHYTHMIA A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-07 US claimed
US-4593102-A N-[(amino)alkyl]-1-pyrrolidine, 1-piperidine and 1-homopiperidinecarboxamides (and thiocarboxamides) with sulfur linked substitution in the 2, 3 or 4-position A. H. ROBINS COMPANY, INC. (US) 1986-06-03 US claimed
EP-0178946-A2 1-(Aminoalkyl)-alpha, alpha-diaryl pyrrolidine-piperidine- and homopiperidine- acetamides and acetonitriles A.H. ROBINS COMPANY, INCORPORATED (US) 1986-04-23 EP claimed
EP-0178947-A2 1-[(Aminoalkyl and aminoalkylamino)carbonyl and thiocarbonyl]-alpha,alpha-diarylpyrrolidine, piperidine and homopiperidineacetamides and acetonitriles A.H. ROBINS COMPANY, INCORPORATED (US) 1986-04-23 EP claimed
US-4558155-A N-(Aryloxyalkyl)-N'-(aminoalkyl)thioureas A. H. ROBINS COMPANY, INCORPORATED (US) 1985-12-10 US claimed
EP-0160436-A2 N-[(Amino)Alkyl]-1-pyrrolidine, 1-piperidine and 1-homopiperidinecarboxamides (and thiocarboxamides) with sulphur linked substitution in the 2, 3 or 4-position A.H. ROBINS COMPANY, INCORPORATED (US) 1985-11-06 EP claimed
US-4500529-A ANTIARRHYTHMIA AGENT A. H. ROBINS COMPANY, INCORPORATED (US) 1985-02-19 US claimed