SCHEMBL415545

SCHEMBL415545

C1=C(c2ccccc2)CCNC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 1.00
HTR2C P28335 11/20 0.96
QDPR P09417 2/20 0.64
HTR6 P50406 3/20 0.60
HTR2A P28223 2/20 0.60
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
DRD2 P14416 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HTR7 P34969 1/20 0.51
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
RAD52 P43351 1/20 0.49

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 SCHEMBL446973 0.98 HTR2C (1.00) SIGMAR1HTR2CQDPRHTR6HTR2A
Bromide SCHEMBL11385943 0.98 SIGMAR1 (0.96) SIGMAR1HTR2CQDPRHTR6HTR2A
Hydrochloric Acid SCHEMBL3676212 0.96 SIGMAR1 (0.92) SIGMAR1HTR2CQDPRHTR6HTR2A
SCHEMBL3899585 0.96 SIGMAR1 (0.92) SIGMAR1HTR2CQDPRHTR6HTR2A
Acetonitrile SCHEMBL8683916 0.89 SIGMAR1 (0.79) SIGMAR1HTR2CQDPRHTR6HTR2A
SCHEMBL4791120 0.89 SIGMAR1 (0.79) SIGMAR1HTR2CQDPRHTR6HTR2A
Hydrochloric Acid SCHEMBL4793458 0.87 HTR2C (0.79) SIGMAR1HTR2CQDPRHTR6HTR2A
SCHEMBL1954669 0.87 SIGMAR1 (0.77) SIGMAR1HTR2CQDPRHTR6HTR2A
Hydrochloric Acid SCHEMBL6795900 0.85 HTR2C (0.78) SIGMAR1HTR2CQDPRHTR6HTR2A
SCHEMBL7838514 0.83 SIGMAR1 (0.70) SIGMAR1HTR2CQDPRHTR6HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117820255-A Application of catalyst and degradation method of ester substance 上海科技大学 2024-04-05 CN claimed
WO-2020210428-A1 NOVEL INHIBITORS OF FLAVIVIRUS PROTEASE FOR PREVENTION AND TREATMENT OF ZIKA, DENGUE AND OTHER FLAVIVIRUS INFECTIONS BAYLOR COLLEGE OF MEDICINE (US) 2020-10-15 WO claimed
EP-2983473-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS Mountain Llc (US) 2016-02-17 EP claimed
WO-2014144130-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC (US) 2014-09-18 WO claimed
EP-1568770-A2 Pharmaceutical use of compounds which bind to a mammalian \"trace amine\" receptor Oregon Health & Science University (US) 2005-08-31 EP claimed
US-20040072187-A1 Novel mammalian receptor genes and uses OREGON HEALTH & SCIENCE UNIVERSITY 2004-04-15 US claimed
EP-1319070-A2 MAMMALIAN RECEPTOR GENES AND USES Oregon Health & Science University (US) 2003-06-18 EP claimed
US-6514993-B1 Useful in the treatment of certain psychic and neurologic disorders H. LUNDBECK A/S (DK) 2003-02-04 US claimed
EP-0703916-B1 14-SUBSTITUTED MARCFORTINES AND DERIVATIVES USEFUL AS ANTIPARASITIC AGENTS UPJOHN CO (US) 2002-08-14 EP claimed
WO-2002022801-A2 MAMMALIAN RECEPTOR GENES AND USES OREGON HEALTH & SCIENCE UNIVERSITY (US) 2002-03-21 WO 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
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-4546177-A 1-(6-Hydroxy-4- or -7-methoxy-5-Benzofuranyl)-4-substituted-1,3-butanediones THE UPJOHN COMPANY (US) 1985-10-08 US claimed
US-4500529-A ANTIARRHYTHMIA AGENT A. H. ROBINS COMPANY, INCORPORATED (US) 1985-02-19 US claimed
US-4487774-A Isochromans THE UPJOHN COMPANY (US) 1984-12-11 US claimed
US-4434295-A Anti-atherosclerotic 6,7-dihydro-7,7-disubstituted-khellin analogs THE UPJOHN COMPANY (US) 1984-02-28 US claimed
EP-0059989-A1 2,3- and 3,4-dehydro-5-phenylmorphans and their preparation ELI LILLY AND COMPANY (US) 1982-09-15 EP claimed
US-4236009-A Method of preparing 4A-arylhexahydro-1H-2-pyrindines and 4A-aryloctahydroisoquinolines ELI LILLY AND COMPANY (US) 1980-11-25 US claimed
EP-0018077-A2 Phenylmorphans, processes for their preparation and pharmaceutical compositions containing them ELI LILLY AND COMPANY (US) 1980-10-29 EP claimed