SCHEMBL904041

SCHEMBL904041

Fc1cnccc1-c1ccc(OC[C@@H]2C3CN(c4ncc(Cl)cn4)C[C@H]32)cn1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.35
KCNH2 Q12809 3/20 0.35
DRD4 P21917 5/20 0.32
ACACB O00763 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
DRD2 P14416 3/20 0.31
HTR1A P08908 1/20 0.31
HTR2A P28223 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
SCHEMBL10067592 0.90 GPR119 (0.36) GPR119DRD4ACACBMKNK1MKNK2
SCHEMBL904073 0.90 GPR119 (0.36) GPR119DRD4ACACBMKNK1MKNK2
SCHEMBL903979 0.89 MKNK1 (0.35) GPR119DRD4ACACBMKNK1MKNK2
SCHEMBL904171 0.88 GPR119 (0.41) GPR119KCNH2CYP11B1CYP11B2
SCHEMBL904032 0.86 ACACB (0.37) GPR119ACACBCYP11B1CYP11B2
SCHEMBL904071 0.80 GPR119 (0.33) GPR119KCNH2
SCHEMBL904187 0.79 MKNK1 (0.40) MKNK1MKNK2
SCHEMBL10067579 0.77 GPR119 (0.38) GPR119KCNH2
SCHEMBL904154 0.75 GPR119 (0.33) GPR119MKNK1MKNK2CYP11B1CYP11B2
SCHEMBL904120 0.73 GPR119 (0.48) GPR119KCNH2

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