SCHEMBL6943140

SCHEMBL6943140

COc1ccc(C(=O)CCn2ccnc2C)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HTT P42858 2/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
NOS1 P29475 1/20 0.48
PDE4B Q07343 1/20 0.48
ALPL P05186 2/20 0.47
ALPG P10696 2/20 0.47
ALPI P09923 1/20 0.47
PLAA Q9Y263 1/20 0.47
MMP1 P03956 1/20 0.47
HSD11B1 P28845 1/20 0.46
GFER P55789 1/20 0.46

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
SCHEMBL11147242 0.86 MMP1 (0.48) MAPTNPC1KMT2AMEN1ALDH1A1
SCHEMBL11441427 0.85 MMP1 (0.49) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL6943126 0.83 ALDH1A1 (0.50) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL6947633 0.83 ESR1 (0.52) KMT2AALDH1A1POLBNOS1ALPL
SCHEMBL11434706 0.83 ALDH1A1 (0.52) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL11152184 0.80 MAPK14 (0.45) MAPTRAB9AKMT2AMEN1ALDH1A1
SCHEMBL11144610 0.79 MMP1 (0.46) NPC1KMT2AMEN1ALDH1A1HTT
SCHEMBL11151952 0.78 FFAR1 (0.46) KMT2AMEN1ALDH1A1HTTALPL
SCHEMBL11150272 0.78 NR4A2 (0.55) MAPTHTTPOLB
SCHEMBL4422252 0.76 MAPT (0.57) MAPTKMT2AMEN1ALDH1A1LMNA

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
EP-0709378-B1 Aminoalkyloximes, a process for their preparation, their use as medicaments and intermediate compounds AVENTIS PHARMA INC (US) 2003-03-19 EP disclosed
US-5770740-A TREATING DEPRESSION AND OBSESSIVE COMPULSIVE DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1998-06-23 US disclosed
US-5696142-A TREATING DEPRESSION, OBSESSIVE COMPULSIVE DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1997-12-09 US disclosed
US-5686447-A ANTIDEPRESSANTS, OBSESSIVE COMPULSIVE DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1997-11-11 US disclosed
US-5686483-A TREATING DEPRESSION AND OBSESSIVE COMPULSIVE DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1997-11-11 US disclosed
US-5686446-A ANTIDEPRESSANTS, OBSESSIVE COMPULSIVE DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1997-11-11 US disclosed
US-5684021-A Aminoalkyloximes for treating depression and affective disorders HOECHST MARION ROUSSEL, INC. (US) 1997-11-04 US disclosed
US-5665756-A Aminoalkyloximes useful in the treatment of depression and obsessive compulsive disorders HOECHST MARION ROUSSEL, INC. (US) 1997-09-09 US disclosed
US-5648367-A ANTIDEPRESANTS, OBSESSIVE-COMPULSIVE DISORDER HOECHST MARION ROUSSEL, INC. (US) 1997-07-15 US disclosed
EP-0709378-A2 Aminoalkyloximes, a process for their preparation, their use as medicaments and intermediate compounds HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1996-05-01 EP disclosed
EP-0009683-B1 BASIC PHENYL ETHERS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THE PREPARATION OF THESE ETHERS AND COMPOSITIONS MERCK PATENT GmbH (DE) 1983-08-10 EP disclosed
EP-0009683-A1 Basic phenyl ethers, pharmaceutical compositions containing them and the preparation of these ethers and compositions MERCK PATENT GmbH (DE) 1980-04-16 EP disclosed