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SCHEMBL4427802

SCHEMBL4427802

CC(C)CNC1CCC(CS(=O)(=O)c2ccccc2)(N2CC[C@H](Nc3nc(C(C)(C)C)nc4ccc(Cl)cc34)C2=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 5/20 0.34
▸ CCR2 P41597 1/20 0.34
▸ CCR5 P51681 1/20 0.34
▸ KMT2A Q03164 1/20 0.33
▸ CNR1 P21554 7/20 0.32
▸ HRH4 Q9H3N8 4/20 0.32
▸ CNR2 P34972 3/20 0.31
▸ KCNH2 Q12809 2/20 0.31
▸ MCHR1 Q99705 2/20 0.31

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
SCHEMBL4415059 0.94 CCR2 (0.35) F10CCR2CCR5KMT2ACNR1
SCHEMBL4416711 0.92 CNR1 (0.37) F10CCR2CCR5KMT2ACNR1
SCHEMBL4413722 0.91 F10 (0.35) F10CCR2CCR5KMT2ACNR1
SCHEMBL4421724 0.90 F10 (0.36) F10CCR2CCR5KMT2ACNR1
SCHEMBL4428598 0.90 F10 (0.36) F10CCR2CCR5KMT2ACNR1
SCHEMBL4417585 0.90 CNR1 (0.40) F10CCR2CCR5KMT2ACNR1
SCHEMBL4420896 0.90 CCR2 (0.36) F10CCR2CCR5KMT2ACNR1
SCHEMBL5027358 0.89 CCR2 (0.42) F10CCR2CCR5HRH4KCNH2
SCHEMBL4417993 0.89 NSD2 (0.39) F10CCR2CCR5KMT2ACNR1
SCHEMBL4416754 0.84 KMT2A (0.31) F10KMT2AKCNH2MCHR1

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
EP-1606255-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2009-11-11 — — EP claimed