SCHEMBL5633870

SCHEMBL5633870

CS(=O)(=O)Nc1ccc(Cc2noc(C3CCN(CC[C@H](NC(=O)C4CCC4)c4ccccc4)CC3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.60
KCNH2 Q12809 1/20 0.51

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
SCHEMBL5633685 0.95 CCR5 (0.54) CCR5KCNH2
SCHEMBL5633851 0.93 CCR5 (0.52) CCR5KCNH2
SCHEMBL5634151 0.93 CCR5 (0.59) CCR5KCNH2
SCHEMBL5633684 0.93 CCR5 (0.51) CCR5KCNH2
SCHEMBL5633692 0.93 CCR5 (0.51) CCR5KCNH2
SCHEMBL5635539 0.90 CCR5 (0.73) CCR5KCNH2
SCHEMBL5634369 0.90 CCR5 (0.73) CCR5KCNH2
SCHEMBL5634195 0.89 CCR5 (0.67) CCR5KCNH2
SCHEMBL5633888 0.89 CCR5 (0.59) CCR5KCNH2
SCHEMBL5634122 0.89 CCR5 (0.47) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217714-B1 CCR5 modulators AGOURON PHARMACEUTICALS, INC. (US) 2007-05-15 US claimed
US-7217714-B1 CCR5 modulators AGOURON PHARMACEUTICALS, INC. (US) 2007-05-15 US disclosed
US-7217714-B1 CCR5 modulators AGOURON PHARMACEUTICALS, INC. (US) 2007-05-15 US disclosed
US-7217714-B1 CCR5 modulators AGOURON PHARMACEUTICALS, INC. (US) 2007-05-15 US disclosed
US-20010039026-A1 Assay method PFIZER INC. 2001-11-08 US disclosed
EP-1118858-A2 Assay method Pfizer Limited (GB) 2001-07-25 EP disclosed