SCHEMBL31737733

SCHEMBL31737733

Nc1ccc(CNC(=O)NCC(=O)N2CCCN2c2cccc(OCc3ccccc3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 10/20 0.50
▸ SPHK2 Q9NRA0 3/20 0.46
▸ SPHK1 Q9NYA1 2/20 0.46
▸ PPIG Q13427 6/20 0.46
▸ PPIB P23284 6/20 0.46
▸ F10 P00742 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
SCHEMBL31737821 0.90 PPID (0.42) PPIDSPHK2SPHK1PPIGPPIB
SCHEMBL31738347 0.87 PPID (0.61) PPIDPPIGPPIB
SCHEMBL31737679 0.87 PPID (0.48) PPIDPPIGPPIB
SCHEMBL31737668 0.84 PPID (0.55) PPIDPPIGPPIB
SCHEMBL31738150 0.81 PPID (0.52) PPIDPPIGPPIB
SCHEMBL31737796 0.81 PPID (0.54) PPIDPPIGPPIB
SCHEMBL31738148 0.81 PPID (0.46) PPIDPPIGPPIB
SCHEMBL31737952 0.80 PPID (0.48) PPIDPPIGPPIB
SCHEMBL31738345 0.80 PPID (0.46) PPIDPPIGPPIB
SCHEMBL31738167 0.77 PPID (0.59) PPIDPPIGPPIB

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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