SCHEMBL31461542

SCHEMBL31461542

O=C(OCc1ccccc1)N1CCN(C2CC2)C(=O)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
CYP2C19 P33261 1/20 0.54
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TMEM97 Q5BJF2 6/20 0.47
SIGMAR1 Q99720 6/20 0.47
HTR1A P08908 2/20 0.47
HRH2 P25021 2/20 0.47
HRH1 P35367 2/20 0.47
HRH3 Q9Y5N1 2/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA1D P25100 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47

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
SCHEMBL28435744 0.95 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL3069766 0.93 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL14334656 0.90 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL3069899 0.90 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL30283170 0.89 HTR2C (0.52) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL27242728 0.87 MEN1 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL12526593 0.87 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL30368837 0.87 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL2851491 0.84 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL23163823 0.83 PARP1 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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-2025092827-A1 EPOXY COMPOUND AND USE THEREOF 上海汇伦医药股份有限公司 2025-05-08 WO disclosed