SCHEMBL31729434

SCHEMBL31729434

CC(C)(C)OC(=O)N1CCN2c3ncc(Br)cc3N(CCO)CC2C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.39
GPR119 Q8TDV5 11/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
PBRM1 Q86U86 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
SCN9A Q15858 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL31729420 0.88 GPR119 (0.36) FPR2GPR119IDO1TDO2PIK3R1
SCHEMBL31729435 0.87 FPR2 (0.41) FPR2GPR119IDO1TDO2PIK3R1
SCHEMBL31728771 0.87 FPR2 (0.41) FPR2GPR119IDO1TDO2PIK3R1
SCHEMBL23102325 0.77 GPR119 (0.39) FPR2GPR119IDO1TDO2PIK3R1
SCHEMBL23102319 0.77 GPR119 (0.39) FPR2GPR119IDO1TDO2PIK3R1
SCHEMBL24763756 0.77 TIPARP (0.41) GPR119PIK3R1PIK3CA
SCHEMBL31022119 0.77 TIPARP (0.41) GPR119PIK3R1PIK3CA
SCHEMBL17068158 0.76 USP30 (0.43) FPR2GPR119SCN9ATP53
SCHEMBL31727586 0.76 GPR119 (0.47) GPR119SMARCA2SMARCA4PBRM1TP53
SCHEMBL24763869 0.75 GPR119 (0.40) GPR119IDO1TDO2SMARCA2SMARCA4

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-2025231563-A1 SUBSTITUTED TRICYCLIC COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND THEIR USE AS PHARMACEUTICALS UNIVERSITE DE MONTREAL (CA) 2025-11-13 WO disclosed