SCHEMBL9021584

SCHEMBL9021584

CCOC(=O)CN1C2CCCC1CC(NC(=O)c1cc(Cl)c(NC(C)=O)cc1OCC)C2

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.49
CXCR6 O00574 8/20 0.47
USP2 O75604 1/20 0.46
CXCR4 P61073 1/20 0.46
DRD2 P14416 1/20 0.46
MAPT P10636 1/20 0.42
DRD4 P21917 2/20 0.42

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
SCHEMBL9021379 0.93 DRD2 (0.53) CXCR6CXCR4DRD2DRD4
SCHEMBL9021439 0.90 OPRK1 (0.47) OPRK1CXCR6USP2CXCR4DRD2
SCHEMBL9021658 0.90 HTR4 (0.52) CXCR6CXCR4DRD2DRD4
SCHEMBL9021426 0.87 DRD2 (0.60) OPRK1USP2DRD2
Maleic Acid SCHEMBL9021974 0.85 HTR4 (0.47) CXCR6CXCR4DRD2DRD4
SCHEMBL9022191 0.85 DRD2 (0.54) CXCR6CXCR4DRD2DRD4
SCHEMBL9021398 0.84 OPRK1 (0.53) OPRK1CXCR6USP2MAPT
SCHEMBL9021504 0.83 DRD2 (0.51) CXCR6CXCR4DRD2DRD4
SCHEMBL9021809 0.83 DRD2 (0.50) CXCR6CXCR4DRD2DRD4
SCHEMBL9021510 0.80 DRD2 (0.70) DRD2

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