SCHEMBL904055

SCHEMBL904055

CC(C)c1noc(N2C[C@@H]3[C@H](COc4ccc(-c5ccc(S(C)(=O)=O)cn5)cc4)[C@@H]3C2)n1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 19/20 0.68
GPR183 P32249 1/20 0.68
KCNH2 Q12809 2/20 0.45
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
MCHR1 Q99705 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
SCHEMBL10067782 1.00 GPR119 (0.68) GPR119GPR183KCNH2CYP3A4CYP2C19
SCHEMBL903998 1.00 GPR119 (0.68) GPR119GPR183KCNH2CYP3A4CYP2C19
SCHEMBL903907 0.93 GPR119 (0.65) GPR119GPR183KCNH2CYP3A4CYP2C19
SCHEMBL904156 0.91 GPR119 (0.62) GPR119GPR183KCNH2CYP3A4CYP2C19
SCHEMBL10067597 0.87 GPR119 (0.54) GPR119GPR183KCNH2CYP3A4CYP2C19
SCHEMBL10067576 0.86 GPR119 (0.59) GPR119GPR183KCNH2CYP3A4CYP2C19
SCHEMBL903997 0.85 GPR119 (0.66) GPR119GPR183KCNH2CYP3A4CYP2C19
SCHEMBL10067424 0.82 GPR119 (0.54) GPR119GPR183KCNH2CYP3A4CYP2C19
SCHEMBL904179 0.81 GPR119 (0.59) GPR119GPR183KCNH2MCHR1
Gsk-1292263 SCHEMBL387238 0.81 GPR119 (1.00) GPR119GPR183KCNH2CYP3A4CYP2C19

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