SCHEMBL6159618

SCHEMBL6159618

O=C(NC1CCNC1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.56
CCR1 P32246 2/20 0.49
ALDH1A1 P00352 1/20 0.49
KDM1A O60341 1/20 0.48
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
CTSD P07339 1/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 1/20 0.44

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
SCHEMBL24671897 0.91 POLB (0.53) POLBCCR1ALDH1A1KDM1AHDAC3
SCHEMBL11226541 0.91 POLB (0.58) POLBCCR1ALDH1A1HDAC3HDAC4
SCHEMBL11857079 0.86 ALDH1A1 (0.46) POLBCCR1ALDH1A1KDM1A
SCHEMBL6437249 0.82 POLB (0.62) POLBCCR1ALDH1A1HDAC3HDAC4
SCHEMBL14050745 0.78 CCR1 (0.68) POLBCCR1ALDH1A1TSHR
SCHEMBL17294658 0.77 SOS1 (0.48) POLBKDM1ATSHR
SCHEMBL17294675 0.77 SOS1 (0.48) POLBKDM1ATSHR
SCHEMBL17294673 0.77 SOS1 (0.48) POLBKDM1ATSHR
SCHEMBL5230051 0.76 MEN1 (0.54) KDM1AHDAC4
SCHEMBL1250846 0.76 MEN1 (0.54) KDM1AHDAC4

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005090319-A1 PROCESS FOR PREPARING BENZODIAZEPINES ARROW THERAPEUTICS LIMITED (GB) 2005-09-29 WO claimed
EP-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP disclosed
US-5936089-A PIPERIDINE DERIVATIVES; BONE DISORDERS; OBESITY; AGING; CACHEXIA ASSOCIATED WITH AIDS AND CANCER PFIZER INC (US) 1999-08-10 US disclosed
WO-1996035713-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER, INC. (US) 1996-11-14 WO disclosed
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 disclosed
US-4812451-A ANTIARRHYTHMIA AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-14 US disclosed
US-4812452-A ANTIARRHYTHMIA AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-14 US disclosed
US-4810703-A ANTIARRHYTHMIA A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-07 US disclosed
US-4594343-A FOR DEEP FAT FRYING VAT OIL; REMOVING CONTAMINANTS; RESTAURANTS A.H. ROBINS COMPANY, INCORPORATED, A DE CORP. 1986-06-10 US disclosed
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 disclosed
US-4002766-A 1-R-3-PYRROLIDINYL-A,A-DIPHENYLACETAMIDES, -ACETONITRILES, AND -METHANES A. H. ROBINS COMPANY, INCORPORATED (US) 1977-01-11 US disclosed
US-4002766-A 1-R-3-PYRROLIDINYL-A,A-DIPHENYLACETAMIDES, -ACETONITRILES, AND -METHANES A. H. ROBINS COMPANY, INCORPORATED (US) 1977-01-11 US disclosed