SCHEMBL6212883

SCHEMBL6212883

COc1cccc(C(=O)NCN2CCC(c3ccccn3)CC2)c1C

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 15/20 0.65
DRD2 P14416 8/20 0.63
DRD3 P35462 5/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
P2RX7 Q99572 1/20 0.44

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
SCHEMBL6210502 0.80 DRD4 (0.68) DRD4DRD2DRD3
SCHEMBL4003760 0.79 DRD4 (1.00) DRD4
SCHEMBL4004571 0.79 DRD4 (0.70) DRD4DRD2DRD3
SCHEMBL4005966 0.78 DRD4 (1.00) DRD4DRD2DRD3ADRA1DADRA1A
SCHEMBL4006660 0.77 DRD4 (0.84) DRD4DRD2DRD3ADRA1DADRA1A
SCHEMBL6215309 0.77 DRD4 (0.66) DRD4DRD2DRD3ADRA1DADRA1A
SCHEMBL4004857 0.74 DRD4 (1.00) DRD4DRD2DRD3ADRA1A
SCHEMBL4003763 0.73 DRD4 (0.77) DRD4DRD2DRD3
SCHEMBL6216990 0.71 DRD4 (0.65) DRD4DRD2DRD3ADRA1DADRA1A
SCHEMBL4005568 0.71 DRD4 (0.71) DRD4DRD2DRD3ADRA1DADRA1A

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-1509213-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION Abbott Laboratories (US) 2005-03-02 EP disclosed
WO-2003099266-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2003-12-04 WO disclosed