SCHEMBL31737668

SCHEMBL31737668

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 11/20 0.55
▸ PPIG Q13427 7/20 0.46
▸ PPIB P23284 8/20 0.45
▸ HPGD P15428 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ PPIA P62937 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ EPHX1 P07099 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ TSHR P16473 1/20 0.37
▸ MAOA P21397 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
SCHEMBL31737952 0.94 PPID (0.48) PPIDPPIGPPIBGAAPPIA
SCHEMBL31738347 0.90 PPID (0.61) PPIDPPIGPPIBPPIAEPHX1
SCHEMBL31738150 0.89 PPID (0.52) PPIDPPIGPPIBMEN1GAA
SCHEMBL31737679 0.87 PPID (0.48) PPIDPPIGPPIBKMT2APPIA
SCHEMBL31738191 0.86 PPID (0.48) PPIDPPIGPPIBMEN1GAA
SCHEMBL31738073 0.85 PPID (0.48) PPIDPPIGPPIBLMNATSHR
SCHEMBL31737796 0.85 PPID (0.54) PPIDPPIGPPIBPPIAEPHX1
SCHEMBL31737733 0.84 PPID (0.50) PPIDPPIGPPIB
SCHEMBL31737731 0.83 PPID (0.52) PPIDPPIGPPIBPPIAEPHX1
SCHEMBL31737966 0.82 PPID (0.53) PPIDPPIGPPIBHPGDPPIA

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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