SCHEMBL904154

SCHEMBL904154

CCc1cnc(N2CC3[C@@H](COc4cnc(-c5ccncc5F)cn4)[C@@H]3C2)nc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.33
LATS1 O95835 1/20 0.32
LATS2 Q9NRM7 1/20 0.32
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL904171 0.87 GPR119 (0.41) GPR119LATS1LATS2CYP11B1CYP11B2
SCHEMBL10067579 0.82 GPR119 (0.38) GPR119
SCHEMBL903931 0.82 GPR119 (0.35) GPR119
SCHEMBL904032 0.80 ACACB (0.37) GPR119CYP11B1CYP11B2
SCHEMBL10067713 0.80 CYP11B1 (0.33) GPR119CYP11B1
SCHEMBL10067592 0.77 GPR119 (0.36) GPR119MKNK1MKNK2CYP11B1CYP11B2
SCHEMBL904073 0.77 GPR119 (0.36) GPR119MKNK1MKNK2CYP11B1CYP11B2
SCHEMBL10068003 0.76 GPR119 (0.32) GPR119
SCHEMBL904041 0.75 GPR119 (0.35) GPR119MKNK1MKNK2CYP11B1CYP11B2
SCHEMBL903979 0.74 MKNK1 (0.35) GPR119MKNK1MKNK2

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