SCHEMBL2912672

SCHEMBL2912672

c1ccc(NC2CN(C(c3ccccc3)c3ccccc3)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
OPRM1 P35372 2/20 0.43
MEN1 O00255 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CYP2D6 P10635 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
DRD1 P21728 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL9900566 0.89 OPRM1 (0.44) KMT2AOPRM1MEN1CHRM2CHRM4
SCHEMBL22244808 0.89 CHRM2 (0.49) KMT2AOPRM1MEN1CHRM2ADRA2A
SCHEMBL11253819 0.79 ALDH1A1 (0.45) KMT2AMEN1CYP2D6KCNH2ALDH1A1
SCHEMBL1221639 0.79 OPRM1 (0.48) KMT2AOPRM1MEN1CHRM2CHRM4
SCHEMBL1104991 0.79 OPRM1 (0.44) KMT2AOPRM1MEN1CHRM2CHRM4
SCHEMBL9904612 0.78 GAA (0.47) KMT2AOPRM1MEN1CHRM2CHRM4
SCHEMBL4594663 0.78 L3MBTL3 (0.45) KMT2AOPRM1MEN1CHRM2CHRM4
Hydrochloric Acid SCHEMBL15010767 0.78 OPRM1 (0.43) KMT2AOPRM1MEN1CHRM2CHRM4
Hydrochloric Acid SCHEMBL4159915 0.78 OPRM1 (0.47) KMT2AOPRM1MEN1CHRM2CHRM4
Hydrochloric Acid SCHEMBL1093833 0.78 OPRM1 (0.43) KMT2AOPRM1MEN1CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263722-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING AZETIDINE DERIVATIVES, NOVEL AZETIDINE DERIVATIVES AND PREPARATION THEREOF AVENTIS PHARMA SA (FR) 2010-08-25 EP disclosed
CN-100386314-C Pharmaceutical compositions containing azetidine derivatives novel azetidine derivatives and preparation thereof AVENTIS PHARMA SA (FR) 2008-05-07 CN disclosed
CN-1418192-A Pharmaceutical compositions containing azetidine derivatives novel azetidine derivatives and preparation thereof AVENTIS PHARMA SA (FR) 2003-05-14 CN disclosed
EP-1263722-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING AZETIDINE DERIVATIVES, NOVEL AZETIDINE DERIVATIVES AND PREPARATION THEREOF Aventis Pharma S.A. (FR) 2002-12-11 EP disclosed
US-6355631-B1 TREATMENT OF PSYCHOSIS AND SCHIZOPHRENIA AVENTIS PHARMA S.A. (FR) 2002-03-12 US disclosed
WO-2001064634-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING AZETIDINE DERIVATIVES, NOVEL AZETIDINE DERIVATIVES AND PREPARATION THEREOF AVENTIS PHARMA S.A. (FR) 2001-09-07 WO disclosed