SCHEMBL903940

SCHEMBL903940

Bc1cc(F)c(OCC2C3CN(c4ncc(CC)cn4)CC23)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.36
HDAC3 O15379 4/20 0.35
HDAC4 P56524 4/20 0.35
HDAC1 Q13547 4/20 0.35
HDAC7 Q8WUI4 4/20 0.35
HDAC2 Q92769 4/20 0.35
HDAC10 Q969S8 4/20 0.35
HDAC11 Q96DB2 4/20 0.35
HDAC8 Q9BY41 4/20 0.35
HDAC6 Q9UBN7 4/20 0.35
HDAC9 Q9UKV0 4/20 0.35
HDAC5 Q9UQL6 4/20 0.35
DHODH Q02127 1/20 0.33
KCNH2 Q12809 1/20 0.32
RXRA P19793 2/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
OGA O60502 1/20 0.31

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
SCHEMBL903941 0.84 GPR119 (0.35) GPR119DHODHKCNH2
SCHEMBL903931 0.83 GPR119 (0.35) GPR119DHODHKCNH2OGA
SCHEMBL904014 0.81 HRH3 (0.45) GPR119HDAC3HDAC4HDAC1HDAC7
SCHEMBL10068064 0.80 CYP11B1 (0.43) GPR119
SCHEMBL904082 0.80 GPR119 (0.47) GPR119
SCHEMBL903891 0.80 GPR119 (0.47) GPR119
SCHEMBL904023 0.80 GPR119 (0.41) GPR119
SCHEMBL903943 0.79 GPR119 (0.39) GPR119HDAC3HDAC4HDAC1HDAC7
SCHEMBL10067600 0.77 GPR119 (0.44) GPR119KCNH2
SCHEMBL904166 0.75 GPR119 (0.45) 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