SCHEMBL9021741

SCHEMBL9021741

CCOC(=O)CN1C2CCCC1CC(NC(=O)c1ccc(NC(C)=O)cc1OC)C2

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR6 O00574 17/20 0.53
CXCR4 P61073 1/20 0.47
DRD2 P14416 1/20 0.47

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
SCHEMBL9021772 0.96 CXCR6 (0.48) CXCR6
SCHEMBL9021398 0.93 OPRK1 (0.53) CXCR6
SCHEMBL9022015 0.91 TSHR (0.49) CXCR6DRD2
SCHEMBL9021529 0.90 TSHR (0.48) CXCR6DRD2
SCHEMBL9021580 0.89 TSHR (0.47) CXCR6DRD2
SCHEMBL9022056 0.86 TSHR (0.43) CXCR6
SCHEMBL9021379 0.84 DRD2 (0.53) CXCR6CXCR4DRD2
SCHEMBL9021623 0.83 DRD2 (0.68) CXCR6DRD2
SCHEMBL9021718 0.83 OPRK1 (0.50) CXCR6
SCHEMBL9021702 0.82 TSHR (0.47) CXCR6DRD2

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