SCHEMBL11166603

SCHEMBL11166603

COc1cccc(C(=O)NC2CC3CCCC(C2)N3Cc2ccc(C)cc2)c1OC

nearest known ligand 0.86

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.86
OPRK1 P41145 4/20 0.72
CXCR6 O00574 2/20 0.62
CXCR4 P61073 1/20 0.62

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
SCHEMBL11172665 1.00 DRD3 (0.86) DRD3OPRK1CXCR6CXCR4
SCHEMBL3364117 0.92 DRD3 (1.00) DRD3OPRK1CXCR6CXCR4
SCHEMBL11165630 0.92 DRD3 (1.00) DRD3OPRK1CXCR6CXCR4
SCHEMBL11204438 0.91 DRD3 (0.72) DRD3OPRK1CXCR6CXCR4
Tropapride SCHEMBL2110411 0.88 DRD3 (0.79) DRD3
SCHEMBL11297735 0.82 DRD3 (0.70) DRD3
SCHEMBL11166945 0.80 DRD3 (0.78) DRD3OPRK1CXCR6CXCR4
SCHEMBL8126666 0.78 SIGMAR1 (0.67) DRD3CXCR6
SCHEMBL8118831 0.78 SIGMAR1 (0.75) DRD3OPRK1CXCR6
SCHEMBL11167422 0.77 DRD3 (0.74) DRD3OPRK1CXCR6CXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0083737-A1 N-azabicycloalkane benzamides, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1983-07-20 EP claimed
EP-0083737-A1 N-azabicycloalkane benzamides, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1983-07-20 EP disclosed