SCHEMBL2483786

SCHEMBL2483786

CC(C)(O)CNC(=O)c1cc(C(=O)N2CCC(c3cccnc3)C2)c(C(F)(F)F)cc1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.41
KCNH2 Q12809 3/20 0.41
SCD5 Q86SK9 1/20 0.40
NAMPT P43490 1/20 0.40
SPR P35270 1/20 0.39
DGAT2 Q96PD7 6/20 0.39
CHRM4 P08173 1/20 0.38
RORC P51449 5/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL2389867 0.83 NAMPT (0.48) CCR2KCNH2SCD5NAMPTSPR
SCHEMBL12255760 0.81 NAMPT (0.46) CCR2KCNH2SCD5NAMPTSPR
SCHEMBL2485619 0.81 ALOX5AP (0.46) CCR2KCNH2SCD5NAMPTSPR
SCHEMBL2390969 0.75 NAMPT (0.59) CCR2KCNH2NAMPTSPR
SCHEMBL2390771 0.74 NAMPT (0.54) CCR2KCNH2SCD5NAMPTSPR
SCHEMBL14670316 0.73 NAMPT (0.52) SCD5NAMPTSPRTDP1
SCHEMBL2390273 0.72 NAMPT (0.52) CCR2KCNH2SCD5NAMPTSPR
SCHEMBL2389262 0.72 NAMPT (0.53) CCR2KCNH2SCD5NAMPTSPR
SCHEMBL2391621 0.71 NAMPT (0.57) CCR2KCNH2SCD5NAMPTSPR
SCHEMBL2390754 0.71 NAMPT (0.56) SCD5NAMPTSPRRORC

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-2375904-A1 BIARYL CARBOXAMIDES Merck Sharp & Dohme Corp. (US) 2011-10-19 EP disclosed
WO-2010077624-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 2010-07-08 WO disclosed