SCHEMBL9021398

SCHEMBL9021398

CCOC(=O)CN1C2CCCC1CC(NC(=O)c1ccc(NC(C)=O)cc1OCC)C2

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.53
USP2 O75604 1/20 0.52
TDP1 Q9NUW8 1/20 0.47
CXCR6 O00574 11/20 0.47
MAPT P10636 1/20 0.46
HTR7 P34969 1/20 0.44

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
SCHEMBL9021741 0.93 CXCR6 (0.53) CXCR6
SCHEMBL9021718 0.90 OPRK1 (0.50) OPRK1USP2TDP1CXCR6MAPT
SCHEMBL9021772 0.89 CXCR6 (0.48) CXCR6
SCHEMBL9021932 0.85 OPRK1 (0.66) OPRK1USP2
SCHEMBL9022015 0.84 TSHR (0.49) OPRK1CXCR6
SCHEMBL9021584 0.84 OPRK1 (0.49) OPRK1USP2CXCR6MAPT
SCHEMBL9021529 0.83 TSHR (0.48) OPRK1CXCR6
SCHEMBL9021580 0.82 TSHR (0.47) OPRK1CXCR6
SCHEMBL9021924 0.80 TDP1 (0.54) OPRK1USP2TDP1MAPTHTR7
SCHEMBL9021426 0.79 DRD2 (0.60) OPRK1USP2

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-0640601-B1 BENZAMIDE DERIVATIVE HOKURIKU PHARMACEUTICAL (JP) 1996-12-04 EP disclosed
US-5500422-A FOR TREATING GASTROINTESTINAL DISEASES HOKURIKU SEIYAKU CO. LTD. (JP) 1996-03-19 US disclosed
US-5395832-A Gastrointestinal disorders HOKURIKU SEIYAKU CO., LTD. (JP) 1995-03-07 US disclosed
EP-0640601-A1 BENZAMIDE DERIVATIVE HOKURIKU SEIYAKU CO., LTD. (JP) 1995-03-01 EP disclosed