SCHEMBL14639628

SCHEMBL14639628

CCN1CCCC1CNc1nc(Nc2ccc(OC)c(CI)c2)nc(OC2CCCCCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.45
CYP2D6 P10635 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL14472452 0.90 GALR1 (0.45) DRD2CYP2D6DRD4DRD3
SCHEMBL5479666 0.89 GALR1 (0.47) DRD2
SCHEMBL14268381 0.89 GALR1 (0.47) DRD2
SCHEMBL4838249 0.89 MAPT (0.47) DRD2
SCHEMBL14421445 0.88 DRD2 (0.44) DRD2CYP2D6DRD4DRD3
SCHEMBL14268383 0.88 GALR1 (0.46) DRD2
SCHEMBL14472520 0.87 GALR1 (0.39) DRD2CYP2D6DRD4DRD3
SCHEMBL14268380 0.86 DRD2 (0.47) DRD2
SCHEMBL14294422 0.82 VNN1 (0.40) DRD2
SCHEMBL14635321 0.81 MEN1 (0.41) DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169784-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed