SCHEMBL10067775

SCHEMBL10067775

CCc1cnc(N2C[C@@]3(C)[C@H](COc4ccc(-c5ccc(C(=O)O)cc5)cc4)[C@@]3(C)C2)nc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
RARB P10826 4/20 0.40
SRD5A2 P31213 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
SSTR5 P35346 2/20 0.38
SLC6A7 Q99884 1/20 0.38
LTA4H P09960 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.37
BCL2 P10415 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL903982 0.81 GPR119 (0.47) GPR119NPC1RAB9ASMN1; SMN2RXRA
SCHEMBL10067567 0.74 GPR119 (0.42) GPR119SLC6A7MEN1KMT2A
SCHEMBL3342687 0.72 GPR119 (0.52) GPR119RXRARXRBSRD5A2SSTR5
SCHEMBL904162 0.71 GPR119 (0.45) GPR119ALDH1A1MAPTKMT2ATP53
SCHEMBL904161 0.71 GPR119 (0.45) GPR119ALDH1A1MAPTKMT2ATP53
SCHEMBL15110025 0.69 GPR119 (0.49) GPR119RXRARXRBMAPTSLC6A7
SCHEMBL10068007 0.68 GPR119 (0.52) GPR119NPC1RAB9ASMN1; SMN2MAPT
Oxalic Acid SCHEMBL15110141 0.67 GPR119 (0.47) GPR119RXRARXRBMAPTLTA4H
SCHEMBL903911 0.67 KDM4E (0.36) GPR119NPC1RAB9A
SCHEMBL25677913 0.67 POLB (0.59) GPR119NPC1RAB9ASMN1; SMN2ALDH1A1

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