SCHEMBL11167422

SCHEMBL11167422

COc1ccc(Cl)c(C(=O)NC2CC3CCCC(C2)N3Cc2ccc(F)cc2)c1OC

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.74
CXCR6 O00574 5/20 0.62
CXCR4 P61073 1/20 0.60
OPRK1 P41145 2/20 0.60
DRD2 P14416 1/20 0.54

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
SCHEMBL3364117 0.85 DRD3 (1.00) DRD3CXCR6CXCR4OPRK1DRD2
SCHEMBL11165630 0.85 DRD3 (1.00) DRD3CXCR6CXCR4OPRK1DRD2
SCHEMBL11166945 0.83 DRD3 (0.78) DRD3CXCR6CXCR4OPRK1DRD2
SCHEMBL11172665 0.77 DRD3 (0.86) DRD3CXCR6CXCR4OPRK1
SCHEMBL11166603 0.77 DRD3 (0.86) DRD3CXCR6CXCR4OPRK1
SCHEMBL10818632 0.76 OPRK1 (0.71) DRD3OPRK1
Tropapride SCHEMBL2110411 0.73 DRD3 (0.79) DRD3DRD2
SCHEMBL8119845 0.71 SIGMAR1 (0.64) DRD3DRD2
SCHEMBL8111456 0.71 SIGMAR1 (0.80) DRD3DRD2
SCHEMBL9412931 0.71 DRD2 (0.69) DRD3OPRK1DRD2

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