SCHEMBL903975

SCHEMBL903975

CC(C)(C)OC(=O)N1CCC2(CC1)CC(COc1ccc(-n3cnnn3)cc1)C2

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.56
NAMPT P43490 2/20 0.48
MAPT P10636 1/20 0.45
POLB P06746 1/20 0.45
BLM P54132 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CHEK2 O96017 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
KMT2A Q03164 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
SCHEMBL904063 0.91 GPR119 (0.66) GPR119NAMPTCHEK2ALDH1A1
SCHEMBL904065 0.86 GPR119 (0.52) GPR119NAMPTMAPTPOLBCHEK2
SCHEMBL15495788 0.83 GPR119 (0.57) GPR119MAPTPOLBBLMTDP1
SCHEMBL15511389 0.83 GPR119 (0.57) GPR119MAPTPOLBBLMTDP1
SCHEMBL10080587 0.79 USP2 (0.66) GPR119MAPTPOLBBLMTDP1
SCHEMBL30328612 0.76 GPR119 (0.58) GPR119NAMPT
SCHEMBL26636892 0.76 GPR119 (0.55) GPR119NAMPTCHEK2
SCHEMBL4773784 0.75 GPR119 (0.64) GPR119MAPTTDP1ALDH1A1
SCHEMBL31752871 0.75 GPR119 (0.63) GPR119
SCHEMBL16433119 0.75 KCNJ1 (0.49) 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