SCHEMBL31738345

SCHEMBL31738345

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 11/20 0.46
▸ PPIG Q13427 7/20 0.43
▸ PPIB P23284 6/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ PPIA P62937 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ METAP2 P50579 1/20 0.36
▸ THRB P10828 1/20 0.36

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
SCHEMBL31737764 0.94 PPID (0.45) PPIDPPIGPPIBHPGDPPIA
SCHEMBL31737679 0.93 PPID (0.48) PPIDPPIGPPIBPPIAKMT2A
SCHEMBL31738230 0.92 PPID (0.45) PPIDPPIGPPIBALDH1A1HPGD
SCHEMBL31737987 0.91 PPID (0.46) PPIDPPIGPPIBPPIAKMT2A
SCHEMBL31737795 0.90 PPID (0.44) PPIDPPIGPPIBALDH1A1HPGD
SCHEMBL31738202 0.87 PPID (0.43) PPIDPPIGPPIBLMNAKMT2A
SCHEMBL31738150 0.87 PPID (0.52) PPIDPPIGPPIBPPIAKMT2A
SCHEMBL31737517 0.86 PPID (0.46) PPIDPPIGPPIBALDH1A1HPGD
SCHEMBL31738228 0.85 PPID (0.43) PPIDPPIGPPIBPPIAMAPT
SCHEMBL31737668 0.84 PPID (0.55) PPIDPPIGPPIBALDH1A1HPGD

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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