SCHEMBL9021439

SCHEMBL9021439

CCOC(=O)CCCN1C2CCCC1CC(NC(=O)c1cc(Cl)c(NC(C)=O)cc1OCC)C2

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.47
USP2 O75604 1/20 0.43
DRD2 P14416 1/20 0.43
GAA P10253 1/20 0.42
CXCR6 O00574 4/20 0.41
TSHR P16473 1/20 0.41
CNR2 P34972 1/20 0.41
MAPT P10636 1/20 0.40
CXCR4 P61073 1/20 0.40
DRD4 P21917 2/20 0.40
HTR4 Q13639 1/20 0.40

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
SCHEMBL9021504 0.94 DRD2 (0.51) DRD2CXCR6TSHRCXCR4DRD4
SCHEMBL9021809 0.91 DRD2 (0.50) DRD2CXCR6TSHRCXCR4DRD4
SCHEMBL9021762 0.90 HTR4 (0.51) DRD2DRD4HTR4
SCHEMBL9021584 0.90 OPRK1 (0.49) OPRK1USP2DRD2CXCR6MAPT
SCHEMBL9022191 0.89 DRD2 (0.54) DRD2CXCR6TSHRCXCR4DRD4
SCHEMBL9021663 0.88 DRD2 (0.57) OPRK1DRD2HTR4
Fumaric Acid SCHEMBL9076217 0.87 DRD2 (0.48) DRD2CXCR6TSHRCXCR4DRD4
SCHEMBL9021718 0.85 OPRK1 (0.50) OPRK1USP2GAACXCR6TSHR
SCHEMBL9021726 0.84 DRD2 (0.52) DRD2CXCR6TSHRCXCR4DRD4
SCHEMBL9021950 0.84 DRD2 (0.52) DRD2CXCR6TSHRCXCR4DRD4

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