SCHEMBL903908

SCHEMBL903908

CCc1cnc(N2CC3CC(Oc4ccc(-n5cnnn5)cc4)CC3C2)nc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.52
MAPT P10636 6/20 0.46
TP53 P04637 2/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 3/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ADRB2 P07550 1/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP3A4 P08684 1/20 0.38

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
SCHEMBL3371738 0.83 GPR119 (0.60) GPR119MAPTTP53MEN1KMT2A
SCHEMBL3373100 0.75 GPR119 (0.52) GPR119MAPTTP53MEN1KMT2A
SCHEMBL3374362 0.75 GPR119 (0.52) GPR119MAPTTP53MEN1KMT2A
SCHEMBL904206 0.74 GPR119 (0.52) GPR119
SCHEMBL903942 0.73 MAPT (0.44) GPR119MAPTTP53MEN1KMT2A
SCHEMBL1950704 0.72 GPR119 (0.72) GPR119MAPTTP53MEN1KMT2A
SCHEMBL10068057 0.71 NPC1 (0.40) GPR119
SCHEMBL904207 0.71 GPR119 (0.60) GPR119MAPTSMN1; SMN2POLBRXFP1
SCHEMBL3688791 0.71 GPR119 (0.66) GPR119MAPTTP53MEN1KMT2A
SCHEMBL14314901 0.71 GPR119 (0.65) GPR119CYP3A4

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