SCHEMBL31662840

SCHEMBL31662840

COc1cc(CN)ccc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.46
GPR119 Q8TDV5 2/20 0.45
SMPD3 Q9NY59 1/20 0.45
TLR9 Q9NR96 4/20 0.44
TLR7 Q9NYK1 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP2C19 P33261 1/20 0.44
SMARCA2 P51531 1/20 0.44
SMARCA4 P51532 1/20 0.44
PBRM1 Q86U86 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ABCB1 P08183 1/20 0.43
BACE1 P56817 1/20 0.42

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
SCHEMBL27796411 0.85 SMARCA2 (0.51) SMN1; SMN2LMNAMAPTGPR119MEN1
SCHEMBL28794140 0.85 SMN1; SMN2 (0.50) SMN1; SMN2LMNAMAPTGPR119MEN1
SCHEMBL8257190 0.84 L3MBTL1 (0.51) SMN1; SMN2LMNAMAPTTP53GPR119
SCHEMBL30890229 0.84 NR1H2 (0.52) SMN1; SMN2LMNAMAPTTP53GPR119
SCHEMBL6807385 0.84 NR1H2 (0.52) SMN1; SMN2LMNAMAPTTP53GPR119
SCHEMBL27829779 0.84 DDB1 (0.44) SMN1; SMN2LMNAMAPTGPR119MEN1
SCHEMBL27796424 0.83 SMARCA2 (0.51) SMN1; SMN2LMNAMAPTGPR119MEN1
SCHEMBL31662900 0.82 BACE1 (0.48) SMN1; SMN2LMNAMAPTGPR119MEN1
SCHEMBL15703554 0.81 CCNT1 (0.49) SMN1; SMN2LMNAMAPTTP53GPR119
SCHEMBL31651670 0.81 DRD2 (0.54) SMN1; SMN2LMNAMAPTSMPD3MEN1

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-2025147756-A1 VIRAL SENSITIZERS COMPOSITIONS, METHODS AND USES THEREOF OTTAWA HOSPITAL RESEARCH INSTITUTE (CA) 2025-07-17 WO disclosed