SCHEMBL31738228

SCHEMBL31738228

Nc1ccc(CNC(=O)NCC(=O)N2CCCN2c2cccc(C(=O)OCc3ccccn3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 11/20 0.43
▸ PPIB P23284 9/20 0.41
▸ PPIG Q13427 7/20 0.41
▸ HDAC1 Q13547 1/20 0.38
▸ CNR2 P34972 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ PPIA P62937 1/20 0.36
▸ S1PR3 Q99500 1/20 0.36
▸ TSHR P16473 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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 0.89 PPID (0.48) PPIDPPIBPPIGNPC1RAB9A
SCHEMBL31737987 0.88 PPID (0.46) PPIDPPIBPPIGCNR2MAPT
SCHEMBL31738202 0.86 PPID (0.43) PPIDPPIBPPIGHDAC1
SCHEMBL31738345 0.85 PPID (0.46) PPIDPPIBPPIGNPC1RAB9A
SCHEMBL31737764 0.84 PPID (0.45) PPIDPPIBPPIGRAB9APPIA
SCHEMBL31738230 0.84 PPID (0.45) PPIDPPIBPPIGNPC1RAB9A
SCHEMBL31738150 0.84 PPID (0.52) PPIDPPIBPPIGMAPTPPIA
SCHEMBL31737795 0.83 PPID (0.44) PPIDPPIBPPIGPPIA
SCHEMBL31737668 0.81 PPID (0.55) PPIDPPIBPPIGPPIATSHR
SCHEMBL31737952 0.81 PPID (0.48) PPIDPPIBPPIGPPIASMN1; SMN2

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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