SCHEMBL7960830

SCHEMBL7960830

Cc1ccc2c(c1)N(CC(=O)c1ccsc1)C(=O)C(NC(=O)OC(C)(C)C)CN2C(=O)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 6/20 0.35
LMNA P02545 1/20 0.33
SCN9A Q15858 2/20 0.32
TSHR P16473 1/20 0.32
HTR7 P34969 1/20 0.31

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
SCHEMBL7962064 0.85 CCKBR (0.36) CCKBRLMNASCN9ATSHR
SCHEMBL6176603 0.84 CCKBR (0.39) CCKBRLMNASCN9ATSHR
SCHEMBL6209886 0.83 TSHR (0.35) TSHR
SCHEMBL7959681 0.83 CCKBR (0.35) CCKBRSCN9A
SCHEMBL6181983 0.82 CCKBR (0.36) CCKBRLMNASCN9A
SCHEMBL6178809 0.82 CCKBR (0.52) CCKBR
SCHEMBL7960957 0.82 CCKBR (0.47) CCKBRLMNA
SCHEMBL6176827 0.79 SCN9A (0.43) CCKBRSCN9A
SCHEMBL7960425 0.78 ALDH1A1 (0.40) CCKBRLMNASCN9ATSHR
SCHEMBL6178660 0.77 CCKBR (0.38) CCKBRLMNASCN9ATSHR

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