SCHEMBL7975445

SCHEMBL7975445

CN(Cc1ccc(NC(=O)C2=Cc3cc(-c4ccc(Cl)cc4)ccc3S(=O)(=O)CC2)cc1)C1CCC(=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.52
CCR5 P51681 13/20 0.42
MCHR1 Q99705 2/20 0.38
CXCR3 P49682 2/20 0.37
CCR7 P32248 1/20 0.37
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
CXCR5 P32302 1/20 0.36

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
SCHEMBL7968890 0.91 CCR2 (0.63) CCR2CCR5CXCR3CCR7CXCR5
SCHEMBL7968766 0.91 CCR2 (0.51) CCR2CCR5MCHR1CXCR3CCR7
SCHEMBL7975020 0.89 CCR2 (0.49) CCR2CCR5CXCR3CCR7
SCHEMBL7968792 0.88 CCR2 (0.52) CCR2CCR5CXCR3CCR7CXCR5
SCHEMBL7972113 0.88 CCR2 (0.49) CCR2CCR5
SCHEMBL7922035 0.85 CCR2 (0.59) CCR2CCR5CXCR3CCR7CXCR5
SCHEMBL7975158 0.84 CCR2 (0.60) CCR2CCR5CXCR3CCR7CXCR5
SCHEMBL7958790 0.84 CCR2 (0.64) CCR2CCR5CXCR3CCR7CXCR5
SCHEMBL7958701 0.84 CCR2 (0.64) CCR2CCR5CXCR3CCR7CXCR5
SCHEMBL7975101 0.84 CCR2 (0.64) CCR2CCR5CXCR3CCR7CXCR5

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-6235771-B1 AIDS THERPAY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed