SCHEMBL3469307

SCHEMBL3469307

O=C(c1ccc(-c2ccc(Cl)cc2)c(Cl)c1)N1CCC(c2cccnc2)C1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SPR P35270 2/20 0.61
NAMPT P43490 3/20 0.60
HSD11B1 P28845 1/20 0.57
PROKR1 Q8TCW9 10/20 0.48
CCNC P24863 1/20 0.48
CDK8 P49336 1/20 0.48
ROCK2 O75116 1/20 0.47
FASN P49327 1/20 0.47

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
SCHEMBL2390911 0.94 SPR (0.63) SPRNAMPTHSD11B1PROKR1CCNC
SCHEMBL2391154 0.88 SPR (0.61) SPRNAMPTHSD11B1PROKR1CCNC
SCHEMBL2393167 0.85 SPR (0.65) SPRNAMPTHSD11B1PROKR1CCNC
SCHEMBL2390029 0.85 SPR (0.58) SPRNAMPTHSD11B1PROKR1CCNC
SCHEMBL2388516 0.84 SPR (0.65) SPRNAMPTHSD11B1PROKR1CCNC
SCHEMBL2386684 0.83 SPR (0.61) SPRNAMPTHSD11B1ROCK2FASN
SCHEMBL2387825 0.82 NAMPT (0.60) SPRNAMPTHSD11B1PROKR1CCNC
SCHEMBL2387066 0.81 NAMPT (0.64) SPRNAMPTHSD11B1ROCK2
SCHEMBL2388720 0.81 NAMPT (0.61) SPRNAMPTHSD11B1PROKR1ROCK2
SCHEMBL2388346 0.81 NAMPT (0.58) SPRNAMPTHSD11B1PROKR1ROCK2

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
WO-2010077624-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 2010-07-08 WO claimed