SCHEMBL903979

SCHEMBL903979

Fc1cnccc1-c1ccc(OC[C@@H]2C3CN(c4ncc(C5CC5)cn4)C[C@H]32)cn1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
ACACB O00763 8/20 0.34
GPR119 Q8TDV5 4/20 0.34
DRD4 P21917 4/20 0.32
DRD2 P14416 3/20 0.32
HTR1A P08908 1/20 0.32
HTR2A P28223 1/20 0.32
KDM1A O60341 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
SCHEMBL904073 0.89 GPR119 (0.36) MKNK1MKNK2ACACBGPR119DRD4
SCHEMBL10067592 0.89 GPR119 (0.36) MKNK1MKNK2ACACBGPR119DRD4
SCHEMBL904041 0.89 GPR119 (0.35) MKNK1MKNK2ACACBGPR119DRD4
SCHEMBL904171 0.87 GPR119 (0.41) GPR119
SCHEMBL904032 0.85 ACACB (0.37) ACACBGPR119
SCHEMBL904069 0.81 GPR119 (0.33) MKNK1MKNK2ACACBGPR119
SCHEMBL904187 0.79 MKNK1 (0.40) MKNK1MKNK2
SCHEMBL10067579 0.76 GPR119 (0.38) GPR119
SCHEMBL904154 0.74 GPR119 (0.33) MKNK1MKNK2GPR119
SCHEMBL10067596 0.73 GPR119 (0.49) ACACBGPR119

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