SCHEMBL31662883

SCHEMBL31662883

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 1/20 0.35
CCR1 P32246 1/20 0.35
RORC P51449 2/20 0.35
ME2 P23368 1/20 0.35
ME1 P48163 1/20 0.35
ME3 Q16798 1/20 0.35
MC4R P32245 2/20 0.35
MEN1 O00255 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
SCHEMBL31662699 0.85 GAA (0.39) GAAKDM4ELMNAMAPTALOX15
SCHEMBL31663031 0.83 GFER (0.47) GAAKDM4ELMNAMAPTALOX15
SCHEMBL31663040 0.81 ME2 (0.44) GAALMNAMAPTME2ME1
SCHEMBL31662690 0.79 ENPP2 (0.35) GAAKDM4ELMNAMAPTALOX15
SCHEMBL31662801 0.78 SMN1; SMN2 (0.53) LMNAMAPTTSHRHTTSMN1; SMN2
SCHEMBL31662775 0.75 ADRB1 (0.45) KDM4ELMNATSHRHTTCYP3A4
SCHEMBL31662796 0.74 AOC3 (0.39) RORCME2ME1ME3MEN1
SCHEMBL31662839 0.74 MC4R (0.37) LMNAMAPTTSHRCYP3A4MC4R
SCHEMBL31662779 0.73 KHK (0.43) GAAHTTCYP3A4
SCHEMBL31662790 0.69 LMNA (0.38) KDM4ELMNAMAPTTSHRTDP1

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