SCHEMBL904063

SCHEMBL904063

CC(C)(C)OC(=O)N1CCC2(CC1)CC(CCOc1ccc(-n3cnnn3)cc1)C2

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 17/20 0.66
NAMPT P43490 1/20 0.47
CHEK2 O96017 1/20 0.46
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL903975 0.91 GPR119 (0.56) GPR119NAMPTCHEK2ALDH1A1
SCHEMBL904065 0.84 GPR119 (0.52) GPR119NAMPTCHEK2ALDH1A1
SCHEMBL13194903 0.80 GPR119 (0.58) GPR119CHEK2ALDH1A1PKM
SCHEMBL10080587 0.78 USP2 (0.66) GPR119ALDH1A1
SCHEMBL903904 0.78 POLB (0.44) GPR119ALDH1A1PKM
SCHEMBL31574923 0.77 GPR119 (0.68) GPR119
SCHEMBL904207 0.76 GPR119 (0.60) GPR119ALDH1A1PKM
SCHEMBL15511389 0.76 GPR119 (0.57) GPR119CHEK2ALDH1A1
SCHEMBL15495788 0.76 GPR119 (0.57) GPR119CHEK2ALDH1A1
SCHEMBL14297532 0.74 GPR119 (0.69) GPR119

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