SCHEMBL904019

SCHEMBL904019

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.46
GPR183 P32249 1/20 0.35
CYP11B1 P15538 1/20 0.34
TP53 P04637 1/20 0.34
CHRNA7 P36544 1/20 0.34
RAB9A P51151 2/20 0.33
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
THRB P10828 1/20 0.31

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
SCHEMBL10068058 0.85 GPR119 (0.47) GPR119GPR183CYP11B1TP53CHRNA7
SCHEMBL903926 0.84 GPR119 (0.47) GPR119CYP11B1RAB9AMAPTL3MBTL1
SCHEMBL10067420 0.82 GPR119 (0.47) GPR119GPR183
SCHEMBL10067703 0.80 GPR119 (0.45) GPR119CYP11B1CHRNA7RAB9ANPC1
SCHEMBL10067704 0.80 GPR119 (0.45) GPR119CYP11B1CHRNA7RAB9ANPC1
SCHEMBL904116 0.78 GPR119 (0.39) GPR119
SCHEMBL903971 0.77 CHRNA3 (0.47) GPR119CHRNA7
SCHEMBL903901 0.76 HDAC3 (0.41) GPR119
SCHEMBL904171 0.74 GPR119 (0.41) GPR119CYP11B1CHRNA7
SCHEMBL903982 0.73 GPR119 (0.47) GPR119RAB9ANPC1SMN1; SMN2

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