SCHEMBL4244342

SCHEMBL4244342

Cc1ccncc1CN(c1ccc(C(F)(F)F)nc1)C1CCN(C(C)CCNC(=O)c2c(C)cc(C#N)nc2C)CC1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.80
KCNH2 Q12809 1/20 0.65

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
SCHEMBL4244338 1.00 CCR5 (0.80) CCR5KCNH2
SCHEMBL4237895 0.91 CCR5 (0.66) CCR5KCNH2
SCHEMBL4237890 0.91 CCR5 (0.66) CCR5KCNH2
SCHEMBL4241579 0.91 CCR5 (0.78) CCR5KCNH2
SCHEMBL4241576 0.91 CCR5 (0.78) CCR5KCNH2
SCHEMBL13920735 0.90 CCR5 (0.67) CCR5KCNH2
SCHEMBL4241609 0.90 CCR5 (0.77) CCR5KCNH2
SCHEMBL4241606 0.90 CCR5 (0.77) CCR5KCNH2
SCHEMBL4246998 0.90 CCR5 (0.87) CCR5KCNH2
SCHEMBL4247005 0.90 CCR5 (0.87) CCR5KCNH2

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-7498346-B2 viricide, antiinflammatory agent; autoimmune diseases; protective effects against infection of target cells by a human immunodeficiency virus (HIV); 6-Chloro-N-((R)-3-{4-[(4-methoxy-phenyl)-(4-methyl-pyridin-3-ylmethyl)-amino]-piperidin-1-yl}-butyl)-2,4-dimethyl-nicotinamide GENZYME CORPORATION (US) 2009-03-03 US disclosed