SCHEMBL31738100

SCHEMBL31738100

COc1ccc(Cl)c(C2CCCN2C(=O)CNC(=O)NCc2ccc(N)cc2)c1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPID Q08752 14/20 0.73
PPIG Q13427 8/20 0.73
PPIB P23284 7/20 0.69
PPIA P62937 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL2040168 0.90 PPID (0.79) PPIDPPIGPPIBPPIAHRH3
SCHEMBL2039651 0.87 PPID (0.73) PPIDPPIGPPIBHRH3
SCHEMBL31737716 0.86 PPID (0.76) PPIDPPIGPPIBPPIA
SCHEMBL2032655 0.85 PPID (0.75) PPIDPPIGPPIBPPIA
SCHEMBL2039389 0.84 PPID (1.00) PPIDPPIGPPIBPPIA
SCHEMBL2042889 0.84 PPID (0.77) PPIDPPIGPPIBPPIA
SCHEMBL28056141 0.84 PPID (0.74) PPIDPPIGPPIBMEN1KMT2A
SCHEMBL31737725 0.83 PPID (0.47) PPIDPPIGPPIB
SCHEMBL2039766 0.82 PPID (1.00) PPIDPPIGPPIBPPIA
SCHEMBL28056216 0.81 PPID (0.70) PPIDPPIGPPIBMEN1KMT2A

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-2025243042-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILIN D THE UNIVERSITY OF LIVERPOOL (GB) 2025-11-27 WO disclosed