SCHEMBL904073

SCHEMBL904073

Cc1cnc(N2CC3[C@@H](COc4ccc(-c5ccncc5F)nc4)[C@@H]3C2)nc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.36
DHODH Q02127 1/20 0.35
AOC3 Q16853 1/20 0.34
PDE2A O00408 1/20 0.33
PDE10A Q9Y233 1/20 0.33
ACACB O00763 1/20 0.32
CHRNA7 P36544 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
GSK3B P49841 1/20 0.32
GRM2 Q14416 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
DRD4 P21917 1/20 0.32

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 1.00 GPR119 (0.36) GPR119DHODHAOC3PDE2APDE10A
SCHEMBL904171 0.90 GPR119 (0.41) GPR119CHRNA7GRM2CYP11B1CYP11B2
SCHEMBL904041 0.90 GPR119 (0.35) GPR119ACACBMKNK1MKNK2CYP11B1
SCHEMBL903979 0.89 MKNK1 (0.35) GPR119ACACBMKNK1MKNK2DRD4
SCHEMBL904032 0.88 ACACB (0.37) GPR119ACACBGRM2CYP11B1CYP11B2
SCHEMBL904187 0.79 MKNK1 (0.40) DHODHCHRNA7MKNK1MKNK2
SCHEMBL10067579 0.79 GPR119 (0.38) GPR119GSK3B
SCHEMBL904154 0.77 GPR119 (0.33) GPR119MKNK1MKNK2CYP11B1CYP11B2
SCHEMBL10068058 0.74 GPR119 (0.47) GPR119CHRNA7CYP11B1CYP11B2
SCHEMBL904071 0.72 GPR119 (0.33) GPR119GRM2

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