SCHEMBL904014

SCHEMBL904014

CCc1cnc(N2CC3[C@@H](COc4c(F)cc(-c5ccc(C#N)cc5)cc4F)[C@@H]3C2)nc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.45
GPR119 Q8TDV5 6/20 0.43
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
KDM1A O60341 6/20 0.35
KIT P10721 2/20 0.35
NSD2 O96028 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
CHRM4 P08173 1/20 0.33

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
SCHEMBL10068064 0.89 CYP11B1 (0.43) GPR119NSD2EGLN2
SCHEMBL903901 0.87 HDAC3 (0.41) HRH3GPR119HDAC3HDAC4HDAC1
SCHEMBL904023 0.85 GPR119 (0.41) GPR119
SCHEMBL903891 0.85 GPR119 (0.47) GPR119
SCHEMBL904082 0.85 GPR119 (0.47) GPR119
SCHEMBL1936232 0.84 GPR119 (0.51) HRH3GPR119KDM1AKIT
SCHEMBL903943 0.84 GPR119 (0.39) GPR119HDAC3HDAC4HDAC1HDAC7
SCHEMBL903941 0.84 GPR119 (0.35) GPR119
SCHEMBL903919 0.83 GPR119 (0.42) HRH3GPR119KDM1AKIT
SCHEMBL903940 0.81 GPR119 (0.36) GPR119HDAC3HDAC4HDAC1HDAC7

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