SCHEMBL2515767

SCHEMBL2515767

CCOc1ccc(-c2ccc(C(=O)N3CCC(c4cccnc4)C3)c(C)c2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.49
SPR P35270 1/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MKNK1 Q9BUB5 2/20 0.44
MKNK2 Q9HBH9 2/20 0.44
APLNR P35414 1/20 0.43
HSD11B1 P28845 4/20 0.43
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
GAA P10253 1/20 0.41
ROCK2 O75116 1/20 0.40
TSHR P16473 1/20 0.40
MYC P01106 1/20 0.39
AOC3 Q16853 1/20 0.39
MGLL Q99685 1/20 0.39

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
SCHEMBL2389086 0.86 NAMPT (0.55) NAMPTSPRALDH1A1MKNK1MKNK2
SCHEMBL2392435 0.83 NAMPT (0.54) NAMPTSPRKDM4EALDH1A1APLNR
SCHEMBL15732482 0.83 NAMPT (0.56) NAMPTSPRHSD11B1
SCHEMBL2391652 0.81 NAMPT (0.53) NAMPTSPRHSD11B1
SCHEMBL2391643 0.81 NAMPT (0.51) NAMPTSPRAPLNRHSD11B1ROCK2
SCHEMBL2388338 0.81 NAMPT (0.52) NAMPTSPRKDM4EALDH1A1HSD11B1
SCHEMBL2390891 0.80 NAMPT (0.53) NAMPTSPRKDM4EALDH1A1APLNR
SCHEMBL2389382 0.76 NAMPT (0.57) NAMPTSPRALDH1A1APLNRHSD11B1
SCHEMBL2388732 0.75 NAMPT (0.52) NAMPTSPRKDM4EALDH1A1APLNR
SCHEMBL12255562 0.75 NAMPT (0.60) NAMPTSPRALDH1A1MKNK1MKNK2

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