SCHEMBL9021932

SCHEMBL9021932

CCOc1cc(NC(C)=O)ccc1C(=O)NC1CC2CCCC(C1)N2Cc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.66
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
DRD2 P14416 2/20 0.56
USP2 O75604 2/20 0.55
SIGMAR1 Q99720 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL9021623 0.91 DRD2 (0.68) OPRK1CYP2D6CYP2C19DRD2SIGMAR1
SCHEMBL9021904 0.87 DRD2 (0.62) CYP2D6CYP2C19DRD2SIGMAR1L3MBTL1
SCHEMBL9021398 0.85 OPRK1 (0.53) OPRK1USP2
SCHEMBL9021718 0.82 OPRK1 (0.50) OPRK1USP2ALDH1A1
SCHEMBL9021924 0.80 TDP1 (0.54) OPRK1USP2KMT2AALDH1A1
SCHEMBL9021741 0.78 CXCR6 (0.53) DRD2
SCHEMBL9022015 0.77 TSHR (0.49) OPRK1CYP2D6DRD2
SCHEMBL10812960 0.76 KMT2A (0.72) OPRK1CYP2D6CYP2C19USP2L3MBTL1
SCHEMBL9021529 0.75 TSHR (0.48) OPRK1DRD2
SCHEMBL9021580 0.75 TSHR (0.47) OPRK1CYP2D6DRD2

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