SCHEMBL10068003

SCHEMBL10068003

CCc1cnc(N2C[C@@H]3[C@@H](COc4cnc(Br)cn4)[C@@H]3C2)nc1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.32
HDAC3 O15379 3/20 0.31
HDAC4 P56524 3/20 0.31
HDAC1 Q13547 3/20 0.31
HDAC7 Q8WUI4 3/20 0.31
HDAC2 Q92769 3/20 0.31
HDAC10 Q969S8 3/20 0.31
HDAC11 Q96DB2 3/20 0.31
HDAC8 Q9BY41 3/20 0.31
HDAC6 Q9UBN7 3/20 0.31
HDAC9 Q9UKV0 3/20 0.31
HDAC5 Q9UQL6 3/20 0.31
DHODH Q02127 1/20 0.30

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
SCHEMBL10067713 0.81 CYP11B1 (0.33) GPR119
SCHEMBL1103971 0.81 GPR119 (0.44) GPR119
SCHEMBL10068055 0.80 HDAC3 (0.36) GPR119HDAC3HDAC4HDAC1HDAC7
SCHEMBL904154 0.76 GPR119 (0.33) GPR119
SCHEMBL10068056 0.75 NTRK1 (0.34) GPR119
SCHEMBL10067584 0.73 GPR119 (0.41) GPR119
SCHEMBL10067427 0.73 GPR119 (0.41) GPR119
SCHEMBL904090 0.73 GPR119 (0.41) GPR119
SCHEMBL903973 0.73 HDAC3 (0.36) GPR119HDAC3HDAC4HDAC1HDAC7
SCHEMBL10067574 0.73 OGA (0.35) 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