SCHEMBL11235259

SCHEMBL11235259

COc1cc(NC(C)=O)c(Cl)cc1C(=O)NC1CC2COCC(C1)N2Cc1ccc(C)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.53
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
DRD4 P21917 11/20 0.48
DRD3 P35462 4/20 0.47
OPRK1 P41145 2/20 0.47
ABCC8 Q09428 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
SCHEMBL11235263 1.00 DRD2 (0.53) DRD2MEN1KMT2ADRD4DRD3
SCHEMBL11242259 0.94 DRD2 (0.54) DRD2DRD4DRD3ABCC8
SCHEMBL11243730 0.94 DRD2 (0.54) DRD2DRD4DRD3ABCC8
SCHEMBL11244187 0.92 DRD2 (0.53) DRD2DRD4DRD3ABCC8
SCHEMBL11238538 0.92 DRD2 (0.53) DRD2DRD4DRD3ABCC8
SCHEMBL11243700 0.92 DRD2 (0.63) DRD2DRD4DRD3
SCHEMBL11237343 0.92 DRD2 (0.63) DRD2DRD4DRD3
SCHEMBL11232514 0.87 DRD2 (0.70) DRD2DRD4DRD3OPRK1
SCHEMBL11232518 0.87 DRD2 (0.70) DRD2DRD4DRD3OPRK1
SCHEMBL11240647 0.86 DRD2 (0.52) DRD2DRD4DRD3

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
US-4352802-A DESALINATION OF SEA WATER BEECHAM GROUP LIMITED (GB) 1982-10-05 US claimed
EP-0041817-A1 Benzamide derivatives, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1981-12-16 EP claimed
US-4352802-A DESALINATION OF SEA WATER BEECHAM GROUP LIMITED (GB) 1982-10-05 US disclosed
EP-0041817-A1 Benzamide derivatives, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1981-12-16 EP disclosed