SCHEMBL25969155

SCHEMBL25969155

O=C(NCCCNc1ccccn1)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.64
PAOX Q6QHF9 2/20 0.64
ADRA2A P08913 1/20 0.64
ADRA2B P18089 1/20 0.64
HTR1D P28221 1/20 0.64
HTR1B P28222 1/20 0.64
HTR2B P41595 1/20 0.64
TMEM97 Q5BJF2 1/20 0.64
SMOX Q9NWM0 1/20 0.64
CHRM4 P08173 1/20 0.56
DRD4 P21917 1/20 0.56
ADRA1B P35368 1/20 0.56
DRD3 P35462 1/20 0.56
SLC6A3 Q01959 1/20 0.56
KDM4E B2RXH2 8/20 0.55
HTT P42858 2/20 0.55
ALDH1A1 P00352 7/20 0.55
TP53 P04637 6/20 0.53
HPGD P15428 6/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL30516231 1.00 OPRK1 (0.64) OPRK1PAOXADRA2AADRA2BHTR1D
SCHEMBL25969145 0.94 OPRK1 (0.61) OPRK1PAOXADRA2AADRA2BHTR1D
SCHEMBL30516222 0.94 OPRK1 (0.61) OPRK1PAOXADRA2AADRA2BHTR1D
SCHEMBL25970331 0.84 OPRK1 (0.68) OPRK1PAOXADRA2AADRA2BHTR1D
SCHEMBL25969265 0.83 OPRK1 (0.62) OPRK1PAOXADRA2AADRA2BHTR1D
SCHEMBL30516215 0.83 OPRK1 (0.62) OPRK1PAOXADRA2AADRA2BHTR1D
SCHEMBL25970233 0.83 OPRK1 (0.69) OPRK1PAOXADRA2AADRA2BHTR1D
SCHEMBL31579003 0.82 OPRK1 (0.64) OPRK1PAOXADRA2AADRA2BHTR1D
SCHEMBL25969166 0.82 OPRK1 (0.64) OPRK1PAOXADRA2AADRA2BHTR1D
SCHEMBL25969026 0.81 OPRK1 (0.67) OPRK1PAOXADRA2AADRA2BHTR1D

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-2023141866-A1 PYRAZOLOPYRIMIDINES AS MODULATORS OF SPERMINE OXIDASE JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 WO disclosed