SCHEMBL31662779

SCHEMBL31662779

O=C([C@@H]1CCCN1)N1CCN(c2ccc(CN3C(=O)C(Cl)=C(Cl)C3O)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KHK P50053 2/20 0.43
GAA P10253 1/20 0.41
CCR4 P51679 4/20 0.39
NPBWR1 P48145 3/20 0.38
MCHR1 Q99705 3/20 0.38
PARP1 P09874 2/20 0.38
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
PIK3CD O00329 2/20 0.37
PIK3CA P42336 2/20 0.37
PIK3CB P42338 2/20 0.37
PIK3CG P48736 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
TGM2 P21980 1/20 0.36

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
SCHEMBL31662798 0.86 KHK (0.42) KHKGAACCR4PARP1CYP1A2
SCHEMBL31663029 0.86 CCR4 (0.38) KHKCCR4PARP1HRH2HRH1
SCHEMBL31663031 0.80 GFER (0.47) GAAHTT
SCHEMBL31662775 0.79 ADRB1 (0.45) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL31663040 0.78 ME2 (0.44) GAA
SCHEMBL31662958 0.76 GAA (0.44) GAANPBWR1MCHR1
SCHEMBL31662801 0.75 SMN1; SMN2 (0.53) CYP2C19HTT
SCHEMBL31662699 0.74 GAA (0.39) GAAHTT
SCHEMBL3631704 0.74 GFER (0.52) KHKGAAHRH2HRH1PIK3CD
SCHEMBL3635165 0.74 GFER (0.52) KHKGAAHRH2HRH1PIK3CD

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