SCHEMBL9022191

SCHEMBL9022191

CCOC(=O)CCN1C2CCCC1CC(NC(=O)c1cc(Cl)c(NC(C)=O)cc1OC)C2

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.54
HTR4 Q13639 2/20 0.51
DRD4 P21917 3/20 0.48
TSHR P16473 1/20 0.48
CXCR6 O00574 3/20 0.47
CXCR4 P61073 1/20 0.46

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 0.95 DRD2 (0.51) DRD2HTR4DRD4TSHRCXCR6
SCHEMBL9021809 0.94 DRD2 (0.50) DRD2HTR4DRD4TSHRCXCR6
SCHEMBL9021762 0.92 HTR4 (0.51) DRD2HTR4DRD4
SCHEMBL9021379 0.92 DRD2 (0.53) DRD2HTR4DRD4CXCR6CXCR4
Fumaric Acid SCHEMBL9076217 0.90 DRD2 (0.48) DRD2HTR4DRD4TSHRCXCR6
SCHEMBL9021439 0.89 OPRK1 (0.47) DRD2HTR4DRD4TSHRCXCR6
SCHEMBL9021874 0.88 DRD2 (0.69) DRD2HTR4
SCHEMBL9021658 0.88 HTR4 (0.52) DRD2HTR4DRD4CXCR6CXCR4
SCHEMBL9021985 0.87 DRD2 (0.52) DRD2HTR4DRD4TSHRCXCR6
SCHEMBL9021950 0.87 DRD2 (0.52) DRD2HTR4DRD4TSHRCXCR6

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