SCHEMBL16456497

SCHEMBL16456497

CCc1ccc(S(=O)(=O)CC2CC(N(C)C(C)C)CCC2N)cc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 19/20 0.49
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
CYP2D6 P10635 1/20 0.40
KCNH2 Q12809 4/20 0.40

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
SCHEMBL2996923 1.00 CCR2 (0.49) CCR2HTR2AHTR2CCYP2D6KCNH2
SCHEMBL3423560 0.88 CCR2 (0.48) CCR2CYP2D6KCNH2
SCHEMBL16456636 0.88 CCR2 (0.48) CCR2CYP2D6KCNH2
SCHEMBL2992305 0.87 CCR2 (0.49) CCR2CYP2D6KCNH2
SCHEMBL16456529 0.87 CCR2 (0.49) CCR2CYP2D6KCNH2
SCHEMBL2991410 0.86 CCR2 (0.54) CCR2CYP2D6KCNH2
SCHEMBL3424968 0.86 CCR2 (0.54) CCR2CYP2D6KCNH2
SCHEMBL5029702 0.72 CCR2 (0.59) CCR2KCNH2
SCHEMBL16456499 0.71 HTR2A (0.40) CCR2HTR2AHTR2C
SCHEMBL2996925 0.71 HTR2A (0.40) CCR2HTR2AHTR2C

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-1620391-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2014-01-15 EP disclosed