SCHEMBL13544446

SCHEMBL13544446

Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)N2CCC1(c2ccccc2)CCN(C(=O)COCC(F)(F)F)CC1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 16/20 0.73
KCNH2 Q12809 6/20 0.73

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
SCHEMBL3530926 1.00 CCR5 (0.73) CCR5KCNH2
SCHEMBL13543418 0.89 CCR5 (0.76) CCR5KCNH2
SCHEMBL3533133 0.89 CCR5 (0.76) CCR5KCNH2
SCHEMBL3525608 0.87 CCR5 (0.81) CCR5KCNH2
SCHEMBL13543454 0.87 CCR5 (0.81) CCR5KCNH2
SCHEMBL3523172 0.85 CCR5 (0.79) CCR5KCNH2
SCHEMBL13543414 0.85 CCR5 (0.79) CCR5KCNH2
SCHEMBL13543462 0.84 CCR5 (0.81) CCR5KCNH2
SCHEMBL3523106 0.84 CCR5 (0.81) CCR5KCNH2
SCHEMBL3523282 0.84 CCR5 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed