SCHEMBL10068007

SCHEMBL10068007

CCc1cnc(N2CC3[C@@H](COc4ccc(-c5ccc(C(C)=O)cc5)nc4)[C@]3(C)C2)nc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.52
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 3/20 0.38
THRB P10828 2/20 0.38
RXFP1 Q9HBX9 1/20 0.33
MCHR1 Q99705 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL10067567 0.85 GPR119 (0.42) GPR119MEN1KMT2A
SCHEMBL10068006 0.77 GPR119 (0.45) GPR119
SCHEMBL904068 0.75 GPR119 (0.46) GPR119
SCHEMBL903996 0.75 GPR119 (0.40) GPR119NPC1RAB9A
SCHEMBL10067770 0.75 GPR119 (0.45) GPR119
SCHEMBL904111 0.73 GPR119 (0.38) GPR119
SCHEMBL904109 0.72 GPR119 (0.45) GPR119
SCHEMBL10067568 0.70 GPR119 (0.38) GPR119
SCHEMBL10067775 0.68 GPR119 (0.45) GPR119TP53SMN1; SMN2NPC1RAB9A
SCHEMBL10067768 0.68 GPR119 (0.47) 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