SCHEMBL9022232

SCHEMBL9022232

COC(=O)N1C2CCCC1CC(NC(=O)c1cc(Cl)c(NC(C)=O)cc1OC)C2

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.55
HTR4 Q13639 2/20 0.54
DRD2 P14416 1/20 0.53
ABCC8 Q09428 1/20 0.48
CXCR6 O00574 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
SCHEMBL9022207 0.96 HTR4 (0.59) DRD4HTR4DRD2
SCHEMBL9021444 0.91 HTR4 (0.66) DRD4HTR4DRD2
SCHEMBL9021909 0.87 HTR4 (0.72) DRD4HTR4
SCHEMBL10998621 0.84 DRD4 (0.63) DRD4HTR4
SCHEMBL11467167 0.84 HTR4 (0.75) DRD4HTR4DRD2
SCHEMBL9021711 0.84 HTR4 (0.66) DRD4HTR4ABCC8
SCHEMBL9021379 0.84 DRD2 (0.53) DRD4HTR4DRD2CXCR6
SCHEMBL11456486 0.83 DRD4 (0.65) DRD4HTR4
SCHEMBL9644709 0.83 DRD4 (0.67) DRD4HTR4
SCHEMBL16607301 0.83 ALDH1A1 (0.64) DRD4HTR4ABCC8

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