SCHEMBL11467167

SCHEMBL11467167

COc1cc(NC(C)=O)c(Cl)cc1C(=O)NC1CCN2C(C)CCCC2C1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.75
DRD4 P21917 16/20 0.56
DRD3 P35462 1/20 0.47
DRD2 P14416 1/20 0.47

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
Brl-20627 SCHEMBL9647317 0.86 HTR4 (1.00) HTR4DRD4DRD3DRD2
SCHEMBL10998621 0.86 DRD4 (0.63) HTR4DRD4DRD3
SCHEMBL11456486 0.85 DRD4 (0.65) HTR4DRD4
SCHEMBL9021444 0.85 HTR4 (0.66) HTR4DRD4DRD2
SCHEMBL9022232 0.84 DRD4 (0.55) HTR4DRD4DRD2
SCHEMBL9644709 0.81 DRD4 (0.67) HTR4DRD4
SCHEMBL9021909 0.81 HTR4 (0.72) HTR4DRD4
SCHEMBL9022207 0.80 HTR4 (0.59) HTR4DRD4DRD3DRD2
SCHEMBL9021711 0.80 HTR4 (0.66) HTR4DRD4
SCHEMBL16607301 0.79 ALDH1A1 (0.64) HTR4DRD4

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-4213983-A Treating gastro-intestinal disorders and emesis with n-(heterocyclic substituted) benzamides BEECHAM GROUP LIMITED (GB) 1980-07-22 US claimed