SCHEMBL904207

SCHEMBL904207

CCc1cnc(N2CCC3(CC2)CC(CCOc2ccc(-n4cnnn4)cc2)C3)nc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.60
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
POLB P06746 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAPT P10636 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 1/20 0.37
USP2 O75604 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL903904 0.78 POLB (0.44) GPR119ALDH1A1PKMPOLBRXFP1
SCHEMBL904063 0.76 GPR119 (0.66) GPR119ALDH1A1PKM
SCHEMBL3371738 0.74 GPR119 (0.60) GPR119POLBMAPTSMN1; SMN2
SCHEMBL1950704 0.72 GPR119 (0.72) GPR119ALDH1A1POLBRXFP1MAPT
SCHEMBL3688791 0.72 GPR119 (0.66) GPR119ALDH1A1PKMPOLBRXFP1
SCHEMBL21397888 0.71 GPR119 (0.73) GPR119ALDH1A1POLBRXFP1KCNH2
SCHEMBL903908 0.71 GPR119 (0.52) GPR119POLBRXFP1MAPTBLM
Mbx-2982 SCHEMBL1118326 0.70 GPR119 (1.00) GPR119ALDH1A1
SCHEMBL1118366 0.70 GPR119 (0.71) GPR119ALDH1A1POLBRXFP1KCNH2
SCHEMBL14316382 0.70 GPR119 (0.64) 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