SCHEMBL10345845

SCHEMBL10345845

COc1ccc2c(c1)CCNCC2(OC(=O)/C=C\C(=O)OC1(c2ccccc2)CNCCc2cc(OC)ccc21)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
CYP2C19 P33261 1/20 0.38
PARP1 P09874 1/20 0.37
HTR2C P28335 2/20 0.37
HTR2A P28223 1/20 0.37
HTR2B P41595 1/20 0.37
AR P10275 2/20 0.36
MAOB P27338 2/20 0.35
KDM1A O60341 1/20 0.35
NPC1 O15118 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.34
ATM Q13315 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL8147695 0.84 HTR2A (0.38) HTR2CHTR2AMAOBLMNA
SCHEMBL9806169 0.70 HTR2C (0.37) HTR2CHTR2AHTR2BMAPTMEN1
SCHEMBL6651372 0.70 HTR2C (0.48) PARP1HTR2CHTR2AHTR2BKDM1A
SCHEMBL29051650 0.70 HTR2C (0.53) HTR2CHTR2AHTR2BKDM1A
SCHEMBL10796154 0.69 HTR2A (0.44) HTR2CHTR2AHTR2BMAOBMEN1
SCHEMBL30468465 0.69 ADRA2A (0.49) PARP1HTR2CHTR2AHTR2BAR
SCHEMBL14480255 0.68 HTR2C (0.41) CYP2C19PARP1HTR2CHTR2AHTR2B
SCHEMBL11710319 0.68 DRD1 (0.38) PARP1HTR2CHTR2AHTR2BNPC1
SCHEMBL9818362 0.68 KDM1A (0.43) HTR2CHTR2AHTR2BARKDM1A
SCHEMBL1904887 0.68 HTR2C (0.48) HTR2CHTR2AHTR2BKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0230755-B1 1-PHENYL-3-BENZAZEPINES SMITHKLINE BEECHAM CORPORATION (US) 1990-05-16 EP disclosed
US-4707483-A 1-phenyl-3-benzazepines and their use for treating gastrointestinal motility disorders SMITHKLINE BECKMAN CORPORATION (US) 1987-11-17 US disclosed
EP-0244088-A2 1-Phenyl-3-benzazepine compounds and medicaments containing these compounds for treating gastrointestinal motility disorders SMITHKLINE BEECHAM CORPORATION (US) 1987-11-04 EP disclosed
EP-0230755-A1 1-Phenyl-3-benzazepines SMITHKLINE BEECHAM CORPORATION (US) 1987-08-05 EP disclosed