SCHEMBL903980

SCHEMBL903980

CC(C)OC(=O)N1CC2[C@@H](COc3ccc(-c4ccc(S(C)(=O)=O)cc4)nc3)[C@@H]2C1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 19/20 0.51
GPR183 P32249 1/20 0.48
BRD4 O60885 1/20 0.42

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
SCHEMBL903991 0.89 GPR119 (0.52) GPR119BRD4
SCHEMBL388632 0.85 GPR119 (0.69) GPR119GPR183
SCHEMBL10067768 0.83 GPR119 (0.47) GPR119GPR183BRD4
SCHEMBL904051 0.82 GPR119 (0.51) GPR119GPR183
SCHEMBL10067583 0.81 GPR119 (0.59) GPR119
SCHEMBL10067575 0.79 GPR119 (0.47) GPR119GPR183
SCHEMBL384428 0.79 GPR119 (0.64) GPR119GPR183
SCHEMBL387399 0.79 GPR119 (0.60) GPR119
SCHEMBL903874 0.79 GPR119 (0.45) GPR119GPR183
SCHEMBL388696 0.79 GPR119 (0.60) GPR119

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