SCHEMBL6179728

SCHEMBL6179728

Cc1ccc2c(c1)N(CC(=O)c1ccccc1C)C(=O)C(NC(=O)Nc1cccc(C(=O)O)c1)CN2C(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 16/20 0.53
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL6180696 0.94 CCKBR (0.53) CCKBRCYP3A4MAPTTSHR
SCHEMBL6176177 0.93 CYP3A4 (0.48) CCKBRCYP3A4MAPTTSHR
SCHEMBL6177496 0.92 CCKBR (0.48) CCKBRCYP3A4MAPTTSHR
SCHEMBL6179311 0.92 CCKBR (0.55) CCKBRCYP3A4MAPTTSHR
SCHEMBL6179284 0.92 CCKBR (0.51) CCKBRCYP3A4MAPTTSHR
SCHEMBL6179945 0.92 CCKBR (0.48) CCKBRCYP3A4MAPTTSHR
SCHEMBL6178437 0.92 CCKBR (0.48) CCKBRCYP3A4MAPTTSHR
SCHEMBL6175135 0.92 CCKBR (0.48) CCKBRCYP3A4MAPTTSHR
SCHEMBL6177922 0.91 CYP3A4 (0.59) CCKBRCYP3A4MAPTTSHR
SCHEMBL6176047 0.90 CCKBR (0.53) CCKBRCYP3A4MAPTTSHR

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