SCHEMBL9021379

SCHEMBL9021379

CCOC(=O)CN1C2CCCC1CC(NC(=O)c1cc(Cl)c(NC(C)=O)cc1OC)C2

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.53
CXCR6 O00574 8/20 0.53
CXCR4 P61073 1/20 0.51
DRD4 P21917 2/20 0.49
HTR4 Q13639 1/20 0.48

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
SCHEMBL9021658 0.96 HTR4 (0.52) DRD2CXCR6CXCR4DRD4HTR4
SCHEMBL9021584 0.93 OPRK1 (0.49) DRD2CXCR6CXCR4DRD4
Maleic Acid SCHEMBL9021974 0.92 HTR4 (0.47) DRD2CXCR6CXCR4DRD4HTR4
SCHEMBL9022191 0.92 DRD2 (0.54) DRD2CXCR6CXCR4DRD4HTR4
SCHEMBL9021504 0.90 DRD2 (0.51) DRD2CXCR6CXCR4DRD4HTR4
SCHEMBL9021809 0.89 DRD2 (0.50) DRD2CXCR6CXCR4DRD4HTR4
SCHEMBL9021510 0.87 DRD2 (0.70) DRD2HTR4
SCHEMBL9021762 0.86 HTR4 (0.51) DRD2DRD4HTR4
Fumaric Acid SCHEMBL9076217 0.85 DRD2 (0.48) DRD2CXCR6CXCR4DRD4HTR4
SCHEMBL9021444 0.84 HTR4 (0.66) DRD2DRD4HTR4

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