SCHEMBL14635161

SCHEMBL14635161

CCN1CCCC1CNc1nc(NC2CCCCCC2)nc(Oc2ccc(OC)c(CI)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.43
ABCG2 Q9UNQ0 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL4832900 0.91 DRD2 (0.43) DRD2ABCG2ALDH1A1
SCHEMBL4838908 0.90 DRD2 (0.44) DRD2
SCHEMBL4837051 0.89 DRD2 (0.43) DRD2ABCG2ALDH1A1
SCHEMBL4837197 0.89 DRD2 (0.43) DRD2ABCG2ALDH1A1
SCHEMBL14421445 0.87 DRD2 (0.44) DRD2ABCG2
SCHEMBL14421567 0.84 DRD2 (0.42) DRD2ABCG2
SCHEMBL14421590 0.83 DRD2 (0.41) DRD2ABCG2
SCHEMBL14293853 0.82 VNN1 (0.40) DRD2ALDH1A1
SCHEMBL5035813 0.81 GALR1 (0.47) DRD2
SCHEMBL4840943 0.80 DRD2 (0.45) DRD2ABCG2

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