SCHEMBL6953456

SCHEMBL6953456

COc1cc(NC(C)=O)c(Cl)cc1C(=O)NC1CC2CN(Cc3ccccc3)CC(C1)N2C

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 20/20 0.63
DRD3 P35462 7/20 0.62
DRD2 P14416 6/20 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
SCHEMBL6955611 0.87 DRD2 (0.73) DRD4DRD3DRD2
SCHEMBL11243700 0.85 DRD2 (0.63) DRD4DRD3DRD2
SCHEMBL11237343 0.85 DRD2 (0.63) DRD4DRD3DRD2
SCHEMBL11230823 0.84 DRD2 (0.62) DRD4DRD3DRD2
SCHEMBL11230827 0.84 DRD2 (0.62) DRD4DRD3DRD2
SCHEMBL9021909 0.84 HTR4 (0.72) DRD4
SCHEMBL9021444 0.82 HTR4 (0.66) DRD4DRD2
SCHEMBL7296558 0.82 HTR4 (0.60) DRD4
SCHEMBL11242259 0.78 DRD2 (0.54) DRD4DRD3DRD2
SCHEMBL11243730 0.78 DRD2 (0.54) DRD4DRD3DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0550550-B1 3,9-DIAZABICYCLO (3.3.1) NONAN-7-YL DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 2003-07-16 EP disclosed
EP-0550550-A1 3,9-DIAZABICYCLO (3.3.1) NONAN-7-YL DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Beecham Group p.l.c. (GB) 1993-07-14 EP disclosed
WO-1992005174-A1 3,9-DIAZABICYCLO (3.3.1) NONAN-7-YL DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1992-04-02 WO disclosed