SCHEMBL904022

SCHEMBL904022

CC(C)(F)CN1CC2C(COc3ccc(-c4ccc(S(C)(=O)=O)cn4)cc3)C2C1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.41
GPR183 P32249 1/20 0.40
PTGS2 P35354 7/20 0.37
PTGS1 P23219 2/20 0.37
MLNR O43193 1/20 0.35

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
SCHEMBL903995 0.94 GPR119 (0.45) GPR119GPR183PTGS2PTGS1
SCHEMBL903874 0.84 GPR119 (0.45) GPR119GPR183PTGS2
SCHEMBL15538947 0.84 GPR119 (0.51) GPR119GPR183PTGS2PTGS1
SCHEMBL10067583 0.81 GPR119 (0.59) GPR119
SCHEMBL15539919 0.78 GPR119 (0.58) GPR119GPR183PTGS2PTGS1
SCHEMBL904051 0.78 GPR119 (0.51) GPR119GPR183PTGS2PTGS1
SCHEMBL10067420 0.78 GPR119 (0.47) GPR119GPR183
SCHEMBL10067575 0.75 GPR119 (0.47) GPR119GPR183PTGS2PTGS1
SCHEMBL903993 0.74 GPR119 (0.40) GPR119
SCHEMBL904056 0.74 GPR119 (0.40) 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