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SCHEMBL7517622

SCHEMBL7517622

CCS(=O)(=O)Nc1ccc(S(=O)(=O)C2CCN(CCCN(C(=O)C3CCN(C(C)=O)CC3)c3ccc(Cl)c(Cl)c3)CC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 19/20 0.79
▸ 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
SCHEMBL4777774 0.93 CCR5 (0.80) CCR5KCNH2
SCHEMBL7522457 0.91 CCR5 (0.65) CCR5
SCHEMBL4768594 0.88 CCR5 (1.00) CCR5KCNH2
SCHEMBL4775477 0.87 CCR5 (0.80) CCR5KCNH2
SCHEMBL4770255 0.87 CCR5 (0.82) CCR5KCNH2
SCHEMBL3039706 0.85 CCR5 (0.67) CCR5
SCHEMBL4768711 0.84 CCR5 (0.75) CCR5KCNH2
SCHEMBL4773779 0.81 CCR5 (0.77) CCR5
SCHEMBL4771143 0.80 CCR5 (0.79) CCR5
SCHEMBL4777863 0.80 CCR5 (0.77) 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
EP-1220842-A1 CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2002-07-10 — — EP disclosed
WO-2001025200-A1 CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-12 — — WO disclosed