SCHEMBL31737987

SCHEMBL31737987

Nc1ccc(CNC(=O)NCC(=O)N2CCCN2c2cccc(C(=O)OCc3ccncc3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 12/20 0.46
▸ NAMPT P43490 2/20 0.42
▸ PPIG Q13427 7/20 0.40
▸ PPIB P23284 7/20 0.40
▸ PPIA P62937 1/20 0.38
▸ MAPT P10636 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ F10 P00742 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 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 0.93 PPID (0.48) PPIDPPIGPPIBPPIAKMT2A
SCHEMBL31738202 0.91 PPID (0.43) PPIDNAMPTPPIGPPIBKMT2A
SCHEMBL31738345 0.91 PPID (0.46) PPIDPPIGPPIBPPIAMAPT
SCHEMBL31737795 0.90 PPID (0.44) PPIDPPIGPPIBPPIA
SCHEMBL31738228 0.88 PPID (0.43) PPIDPPIGPPIBPPIAMAPT
SCHEMBL31737764 0.88 PPID (0.45) PPIDPPIGPPIBPPIA
SCHEMBL31738230 0.88 PPID (0.45) PPIDPPIGPPIBPPIAKMT2A
SCHEMBL31738150 0.86 PPID (0.52) PPIDPPIGPPIBPPIAMAPT
SCHEMBL31737668 0.83 PPID (0.55) PPIDPPIGPPIBPPIAGAA
SCHEMBL31737952 0.83 PPID (0.48) PPIDPPIGPPIBPPIAGAA

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
Send feedback