SCHEMBL31403671

SCHEMBL31403671

Nc1ccc(OC2CCC2)nn1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.43
MCHR1 Q99705 4/20 0.41
FEN1 P39748 3/20 0.39
LOX P28300 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
PARP10 Q53GL7 1/20 0.36
TRPC6 Q9Y210 1/20 0.34
SLC5A2 P31639 1/20 0.32
ALOX5AP P20292 2/20 0.32
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
PDGFRB P09619 2/20 0.31
PDGFRA P16234 2/20 0.31
SRC P12931 1/20 0.31
JAK3 P52333 1/20 0.31
FURIN P09958 1/20 0.31
IL1B P01584 1/20 0.30
NLRP3 Q96P20 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
SCHEMBL4019117 0.96 MCHR1 (0.44) BCAT2MCHR1FEN1LOXLOXL2
SCHEMBL4020723 0.94 MCHR1 (0.46) BCAT2MCHR1FEN1LOXLOXL2
SCHEMBL31508269 0.92 BCAT2 (0.46) BCAT2MCHR1FEN1LOXLOXL2
SCHEMBL4029669 0.84 BCAT2 (0.40) BCAT2FEN1SLC5A2ALOX5AP
SCHEMBL13769086 0.84 HRH1 (0.44) BCAT2FEN1ALOX5APPIM1
SCHEMBL30986470 0.81 HRH3 (0.42) BCAT2IL1BNLRP3
SCHEMBL25319182 0.79 BCAT2 (0.42) BCAT2FEN1
SCHEMBL17654183 0.79 GLS (0.50)
SCHEMBL17654126 0.76 GPR119 (0.43) BCAT2TRPC6
SCHEMBL29311693 0.75 MAP3K12 (0.39) BCAT2

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-2025076284-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USING THE SAME DELPHIA THERAPEUTICS, INC. (US) 2025-04-10 WO disclosed