SCHEMBL31737504

SCHEMBL31737504

Nc1ccc(CNC(=O)N[C@@H](C(=O)N2CCCN2c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PPIB P23284 3/20 0.55
▸ PPIA P62937 1/20 0.55
▸ PPID Q08752 10/20 0.45
▸ PPIG Q13427 5/20 0.42
▸ MTTP P55157 2/20 0.41
▸ EPHX1 P07099 1/20 0.40
▸ METAP2 P50579 1/20 0.39

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
SCHEMBL31738247 1.00 PPIB (0.55) PPIBPPIAPPIDPPIGMTTP
SCHEMBL31738169 0.88 PPIB (0.52) PPIBPPIAPPIDPPIGMTTP
SCHEMBL31738253 0.88 PPIB (0.52) PPIBPPIAPPIDPPIGMTTP
SCHEMBL31737934 0.88 PPIB (0.52) PPIBPPIAPPIDPPIGMTTP
SCHEMBL31737997 0.81 PPIB (0.46) PPIBPPIAPPIDPPIGMETAP2
SCHEMBL31738347 0.81 PPID (0.61) PPIBPPIAPPIDPPIGEPHX1
SCHEMBL31737531 0.79 F2 (0.37) MTTP
SCHEMBL31737759 0.79 PPIB (0.46) PPIBPPIAPPIDPPIG
SCHEMBL31738031 0.79 PPIB (0.46) PPIBPPIAPPIDPPIGMTTP
SCHEMBL14576523 0.73 PPIB (0.50) PPIBPPIAPPIDPPIG

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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