SCHEMBL31662798

SCHEMBL31662798

Cc1cc(N2CCN(C(=O)[C@@H]3CCCN3)CC2)ccc1CN1C(=O)C(Cl)=C(Cl)C1O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KHK P50053 2/20 0.42
CCR4 P51679 7/20 0.41
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
TSHR P16473 1/20 0.37
PARP1 P09874 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
GFER P55789 1/20 0.36
HTT P42858 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL31662779 0.86 KHK (0.43) KHKCCR4CYP1A2CYP3A4CYP2D6
SCHEMBL31663164 0.81 ADRB1 (0.45) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL31662949 0.79 CCR1 (0.39) TSHRALDH1A1MAPTGFERHTT
SCHEMBL31662878 0.79 SMN1; SMN2 (0.42) CYP2C19TSHRALDH1A1MAPTHTT
SCHEMBL31662897 0.78 ALDH1A1 (0.42) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL31662904 0.78 MAPT (0.35) TSHRALDH1A1MAPTGFERHTT
SCHEMBL31663029 0.78 CCR4 (0.38) KHKCCR4PARP1HTR1AADRA1D
SCHEMBL31662832 0.76 WNT3A (0.35) ALDH1A1
SCHEMBL31663188 0.72 MMP13 (0.34) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3631704 0.69 GFER (0.52) KHKCYP2C9CYP2C19ALDH1A1MAPT

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