SCHEMBL6179741

SCHEMBL6179741

CCOC(=O)c1cccc(NC(=O)NC2CN(C(=O)C(C)(C)C)c3ccccc3N(CC(=O)c3ccccc3[N+](=O)[O-])C2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 12/20 0.44
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL6177850 0.89 CCKBR (0.45) CCKBRKMT2ALMNAMAPTPOLB
SCHEMBL6181818 0.89 CCKBR (0.50) CCKBRKMT2ALMNAMAPT
SCHEMBL6181761 0.88 CCKBR (0.47) CCKBRKMT2ALMNAMAPTPOLB
SCHEMBL6177012 0.88 CCKBR (0.49) CCKBRKMT2ALMNAMAPT
SCHEMBL6179079 0.85 CCKBR (0.49) CCKBRKMT2AMAPTPOLBPKM
SCHEMBL6179745 0.84 CCKBR (0.51) CCKBRMAPT
SCHEMBL6175491 0.83 CYP3A4 (0.46) CCKBRMAPTRAB9A
SCHEMBL6179566 0.82 CCKBR (0.47) CCKBRKMT2ALMNA
SCHEMBL6182073 0.82 CYP3A4 (0.43) CCKBRMAPTPOLBPKMRAB9A
SCHEMBL6180216 0.82 CCKBR (0.50) CCKBRMAPT

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-0945445-B9 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARM CO LTD (JP) 2005-12-28 EP disclosed
EP-0945445-B1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARM CO LTD (JP) 2003-09-03 EP disclosed
US-6239131-B1 WHICH HAVE GASTRIN AND/OR CCK-B (CHOLECYSTOKININ-B) RECEPTOR ANTAGONISM, USEFUL AS REMEDIES FOR GASTRIC ULCER AND GASTROINTESTINAL MOVEMENT DISORDER. ZERIA PHARMACEUTICAL CO., LTD. (JP) 2001-05-29 US disclosed
EP-0945445-A1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed