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SCHEMBL4415274

SCHEMBL4415274

CC(C)CNC1CCC(CS(=O)(=O)c2ccccc2)(N2CC[C@H](NC(=O)c3cc(C45CC6CC(CC(C6)C4)C5)c[nH]3)C2=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 7/20 0.35
▸ KCNH2 Q12809 4/20 0.34

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
SCHEMBL4415142 0.78 CCR2 (0.46) CCR2KCNH2
SCHEMBL4424621 0.77 CCR2 (0.54) CCR2KCNH2
SCHEMBL4420814 0.77 — —
SCHEMBL4417216 0.76 CCR2 (0.41) CCR2KCNH2
SCHEMBL4421644 0.73 CCR2 (0.69) CCR2KCNH2
SCHEMBL4413609 0.73 CCR2 (0.69) CCR2KCNH2
SCHEMBL4415271 0.73 CCR2 (0.69) CCR2KCNH2
SCHEMBL4416873 0.73 DCUN1D1 (0.46) CCR2KCNH2
SCHEMBL4413543 0.69 CCR2 (0.55) CCR2KCNH2
SCHEMBL4416767 0.68 CCR2 (0.53) CCR2KCNH2

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