SCHEMBL31737795

SCHEMBL31737795

Nc1ccc(CNC(=O)NCC(=O)N2CCCN2c2cccc(C(=O)OCc3ccc(C(F)(F)F)cc3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 11/20 0.44
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ PPIG Q13427 7/20 0.39
▸ PPIB P23284 6/20 0.39
▸ PPIA P62937 1/20 0.39
▸ MMP12 P39900 2/20 0.36
▸ CCR2 P41597 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.35
▸ MMP1 P03956 1/20 0.35

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
SCHEMBL31737679 0.91 PPID (0.48) PPIDPPIGPPIBPPIA
SCHEMBL31737987 0.90 PPID (0.46) PPIDPPIGPPIBPPIA
SCHEMBL31738345 0.90 PPID (0.46) PPIDALDH1A1HPGDLMNAPPIG
SCHEMBL31737764 0.86 PPID (0.45) PPIDHPGDLMNAPPIGPPIB
SCHEMBL31738230 0.86 PPID (0.45) PPIDALDH1A1HPGDPPIGPPIB
SCHEMBL31738202 0.85 PPID (0.43) PPIDLMNAPPIGPPIB
SCHEMBL31738150 0.85 PPID (0.52) PPIDPPIGPPIBPPIA
SCHEMBL31738228 0.83 PPID (0.43) PPIDPPIGPPIBPPIA
SCHEMBL31737668 0.82 PPID (0.55) PPIDALDH1A1HPGDLMNAPPIG
SCHEMBL31737952 0.82 PPID (0.48) PPIDPPIGPPIBPPIA

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