SCHEMBL904027

SCHEMBL904027

CSc1ccc(-c2ccc(OC3C4COCC3CN(C(=O)OC(C)(C)C)C4)cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.42
USP30 Q70CQ3 2/20 0.38
CHRNA7 P36544 1/20 0.36
HTT P42858 1/20 0.36
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
LIPE Q05469 1/20 0.34

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
SCHEMBL8511074 0.80 GPR119 (0.47) GPR119USP30LIPE
SCHEMBL904099 0.73 GPR119 (0.54) GPR119
SCHEMBL10106274 0.68 GPR119 (0.55) GPR119
SCHEMBL10106468 0.68 GPR119 (0.61) GPR119
SCHEMBL16307882 0.68 GPR119 (0.55) GPR119
SCHEMBL2887691 0.67 GPR119 (0.55) GPR119USP30HTTPIK3CA
SCHEMBL10106451 0.67 GPR119 (0.52) GPR119
SCHEMBL12170583 0.67 GPR119 (0.54) GPR119
SCHEMBL30915773 0.67 NR1H2 (0.60) GPR119LIPE
SCHEMBL29215623 0.67 NR1H2 (0.60) GPR119LIPE

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-2012041158-A1 TRICYCLIC COMPOUND, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF 上海恒瑞医药有限公司 (CN) 2012-04-05 WO disclosed