SCHEMBL9021658

SCHEMBL9021658

CCOC(=O)CN1C2CCC1CC(NC(=O)c1cc(Cl)c(NC(C)=O)cc1OC)C2

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 1/20 0.52
DRD2 P14416 1/20 0.49
CXCR6 O00574 4/20 0.48
DRD4 P21917 4/20 0.47
CXCR4 P61073 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
SCHEMBL9021379 0.96 DRD2 (0.53) HTR4DRD2CXCR6DRD4CXCR4
Maleic Acid SCHEMBL9021974 0.95 HTR4 (0.47) HTR4DRD2CXCR6DRD4CXCR4
SCHEMBL9021762 0.90 HTR4 (0.51) HTR4DRD2DRD4
SCHEMBL9021584 0.90 OPRK1 (0.49) DRD2CXCR6DRD4CXCR4
SCHEMBL9022191 0.88 DRD2 (0.54) HTR4DRD2CXCR6DRD4CXCR4
SCHEMBL9021504 0.87 DRD2 (0.51) HTR4DRD2CXCR6DRD4CXCR4
SCHEMBL9021649 0.86 HTR4 (0.70) HTR4DRD2
SCHEMBL9021809 0.86 DRD2 (0.50) HTR4DRD2CXCR6DRD4CXCR4
SCHEMBL9021909 0.84 HTR4 (0.72) HTR4DRD4
SCHEMBL9021772 0.84 CXCR6 (0.48) CXCR6

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