SCHEMBL3350848

SCHEMBL3350848

COc1cccc([C@H](C)NC(=O)[C@@H]2CNC[C@H]2c2ccc(Cl)cn2)n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.41
ROCK1 Q13464 2/20 0.41
CHRNA7 P36544 1/20 0.39
KCNA5 P22460 1/20 0.37
KCNB1 Q14721 1/20 0.37
MAPK1 P28482 3/20 0.35
MC4R P32245 6/20 0.34
APLNR P35414 2/20 0.34
SSTR4 P31391 1/20 0.34
KCNH2 Q12809 1/20 0.33
TRPM5 Q9NZQ8 1/20 0.33

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
SCHEMBL3346544 0.88 TRPM5 (0.38) ROCK2MAPK1SSTR4KCNH2TRPM5
SCHEMBL13365045 0.87 MC4R (0.43) ROCK2ROCK1CHRNA7MC4RKCNH2
SCHEMBL3346552 0.87 KCNH2 (0.45) ROCK2ROCK1CHRNA7KCNA5KCNB1
SCHEMBL3346446 0.84 ROCK2 (0.42) ROCK2MAPK1KCNH2TRPM5
SCHEMBL13365053 0.84 CHRNA7 (0.43) ROCK2ROCK1CHRNA7KCNA5KCNB1
SCHEMBL3346689 0.82 POLB (0.50) ROCK2ROCK1
SCHEMBL3349710 0.81 KCNQ3 (0.46) CHRNA7KCNH2
SCHEMBL3350804 0.80 MAPK1 (0.41) ROCK2ROCK1MAPK1KCNH2
SCHEMBL3350852 0.80 MC4R (0.37) ROCK2MC4RTRPM5
SCHEMBL13365057 0.79 KCNH2 (0.38) ROCK2CHRNA7MAPK1SSTR4KCNH2

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
WO-2010059922-A1 PYRROLIDINE CARBOXAMIDE COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-05-27 WO claimed
WO-2010059922-A1 PYRROLIDINE CARBOXAMIDE COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-05-27 WO disclosed