SCHEMBL7960957

SCHEMBL7960957

CCOC(=O)c1cccc(NC(=O)NC2CN(C(=O)C(C)(C)C)c3ccc(C)cc3N(CC(=O)c3ccsc3)C2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 18/20 0.47
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL6178809 0.92 CCKBR (0.52) CCKBR
SCHEMBL6193739 0.91 CCKBR (0.42) CCKBRKMT2ALMNA
SCHEMBL6177998 0.89 CCKBR (0.47) CCKBRKMT2ALMNA
SCHEMBL6179079 0.88 CCKBR (0.49) CCKBRKMT2A
SCHEMBL6178953 0.86 CCKBR (0.47) CCKBRKMT2ALMNA
SCHEMBL6180301 0.86 CCKBR (0.47) CCKBRKMT2ALMNA
SCHEMBL6181818 0.85 CCKBR (0.50) CCKBRKMT2ALMNA
SCHEMBL6181169 0.82 CCKBR (0.48) CCKBRKMT2A
SCHEMBL7960830 0.82 CCKBR (0.35) CCKBRLMNA
SCHEMBL6177012 0.82 CCKBR (0.49) CCKBRKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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