SCHEMBL31737814

SCHEMBL31737814

CC(C)(C)N(CC(=O)N1CCCN1c1ccccn1)C(=O)O.Nc1ccc(CNC(=O)NCC(=O)N2CCCN2c2ccccn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 11/20 0.44
▸ PPIB P23284 10/20 0.40
▸ PPIG Q13427 7/20 0.40
▸ PPIA P62937 1/20 0.37
▸ OPRD1 P41143 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA7 P43166 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL31737999 0.88 PPID (0.48) PPIDPPIBPPIGPPIA
SCHEMBL31738149 0.88 PPID (0.56) PPIDPPIBPPIGPPIACA1
SCHEMBL31738027 0.86 PPID (0.41) PPIDPPIBPPIGPPIA
SCHEMBL31738268 0.85 PPID (0.48) PPIDPPIBPPIGPPIA
SCHEMBL31738189 0.83 PPID (0.42) PPIDPPIBPPIGPPIA
SCHEMBL31737821 0.82 PPID (0.42) PPIDPPIBPPIGPPIA
SCHEMBL31737542 0.81 PPID (0.43) PPIDPPIBPPIGPPIA
SCHEMBL31738218 0.81 PPID (0.43) PPIDPPIBPPIGPPIA
SCHEMBL31738222 0.80 PPID (0.43) PPIDPPIBPPIGPPIAKMT2A
SCHEMBL31738099 0.80 PPID (0.43) PPIDPPIBPPIGPPIAKMT2A

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
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