SCHEMBL9622772

SCHEMBL9622772

COc1cc(NS(C)(=O)=O)c(Cl)cc1C(=O)NCC1(O)CN2CCC1CC2

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.45
DRD2 P14416 6/20 0.45
DRD3 P35462 6/20 0.45
HTR4 Q13639 1/20 0.41
ABCC8 Q09428 1/20 0.41

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
Fumaric Acid SCHEMBL9623206 0.95 DRD4 (0.44) DRD4DRD2DRD3
Fumaric Acid SCHEMBL9623193 0.95 DRD4 (0.44) DRD4DRD2DRD3
SCHEMBL9622510 0.89 DRD4 (0.55) DRD4DRD2DRD3
SCHEMBL9622424 0.84 HTR3A (0.58) DRD2HTR4
SCHEMBL9623046 0.75 HTR3A (0.47) DRD4DRD2DRD3HTR4
SCHEMBL9458245 0.72 DRD4 (0.51) DRD4DRD2DRD3
SCHEMBL9623163 0.72 HTR3A (0.47) DRD2HTR4
SCHEMBL9622879 0.72 SMN1; SMN2 (0.49)
SCHEMBL11084314 0.71 DRD2 (0.65) DRD4DRD2DRD3
Water SCHEMBL9623052 0.71 SMN1; SMN2 (0.48)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5137895-A Antiemetic, anxiolytic, gastric emptying and serotonin modulating activity A. H. ROBINS COMPANY, INCORPORATED (US) 1992-08-11 US claimed