SCHEMBL4776197

SCHEMBL4776197

O=C(O)N1CCCC[C@H]1[C@@H](O)c1cccc(-c2ccncc2)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 10/20 0.42
ROCK1 Q13464 6/20 0.42
FABP4 P15090 1/20 0.39
DAGLB Q8NCG7 1/20 0.38
DAGLA Q9Y4D2 1/20 0.38
CTSA P10619 2/20 0.38
ADAM17 P78536 1/20 0.37
HSD17B2 P37059 1/20 0.37
SCD O00767 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 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
SCHEMBL4776201 1.00 ROCK2 (0.42) ROCK2ROCK1FABP4DAGLBDAGLA
SCHEMBL4777579 0.92 HSD17B2 (0.43) FABP4HSD17B2
SCHEMBL8221589 0.84 GPR119 (0.43)
SCHEMBL4779673 0.84 PIM2 (0.42) FABP4
SCHEMBL4726621 0.84 DAGLB (0.42) FABP4DAGLBDAGLACTSLCTSK
SCHEMBL4726619 0.84 DAGLB (0.42) FABP4DAGLBDAGLACTSLCTSK
SCHEMBL4776097 0.82 ROCK2 (0.42) ROCK2ROCK1HSD17B2
SCHEMBL4776087 0.82 ROCK2 (0.42) ROCK2ROCK1HSD17B2
SCHEMBL4725342 0.80 HPGD (0.41) DAGLAHSD17B2
SCHEMBL3076594 0.80 LMNA (0.44)

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-2008018639-A2 GLYCINE TRANSPORTER INHIBITOR TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-02-14 WO disclosed