SCHEMBL31738347

SCHEMBL31738347

Nc1ccc(CNC(=O)NCC(=O)N2CCCN2c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 11/20 0.61
▸ PPIB P23284 8/20 0.52
▸ PPIG Q13427 7/20 0.52
▸ PPIA P62937 1/20 0.44
▸ EPHX1 P07099 2/20 0.43
▸ METAP2 P50579 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL31737668 0.90 PPID (0.55) PPIDPPIBPPIGPPIAEPHX1
SCHEMBL31737999 0.88 PPID (0.48) PPIDPPIBPPIGPPIAEPHX1
SCHEMBL31737733 0.87 PPID (0.50) PPIDPPIBPPIG
SCHEMBL31737796 0.87 PPID (0.54) PPIDPPIBPPIGPPIAEPHX1
SCHEMBL31738167 0.86 PPID (0.59) PPIDPPIBPPIGPPIAEPHX1
SCHEMBL31737679 0.85 PPID (0.48) PPIDPPIBPPIGPPIA
SCHEMBL31738150 0.85 PPID (0.52) PPIDPPIBPPIGPPIASMN1; SMN2
SCHEMBL31738149 0.84 PPID (0.56) PPIDPPIBPPIGPPIAEPHX1
SCHEMBL31737952 0.84 PPID (0.48) PPIDPPIBPPIGPPIASMN1; SMN2
SCHEMBL31737966 0.84 PPID (0.53) PPIDPPIBPPIGPPIAEPHX1

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 claimed
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