SCHEMBL31737796

SCHEMBL31737796

N#Cc1cccc(N2CCCN2C(=O)CNC(=O)NCc2ccc(N)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 10/20 0.54
▸ PPIG Q13427 6/20 0.46
▸ PPIB P23284 7/20 0.44
▸ METAP2 P50579 1/20 0.43
▸ MCHR1 Q99705 1/20 0.41
▸ PPIA P62937 1/20 0.39
▸ KLKB1 P03952 1/20 0.39
▸ KLK1 P06870 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NSD2 O96028 1/20 0.38
▸ EPHX1 P07099 1/20 0.38

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
SCHEMBL31737542 0.89 PPID (0.43) PPIDPPIGPPIBMETAP2MCHR1
SCHEMBL31738347 0.87 PPID (0.61) PPIDPPIGPPIBMETAP2PPIA
SCHEMBL31737668 0.85 PPID (0.55) PPIDPPIGPPIBPPIAEPHX1
SCHEMBL31738150 0.83 PPID (0.52) PPIDPPIGPPIBPPIASMN1; SMN2
SCHEMBL31737733 0.81 PPID (0.50) PPIDPPIGPPIB
SCHEMBL31737952 0.80 PPID (0.48) PPIDPPIGPPIBPPIASMN1; SMN2
SCHEMBL31738191 0.80 PPID (0.48) PPIDPPIGPPIBPPIA
SCHEMBL31738073 0.79 PPID (0.48) PPIDPPIGPPIBSMN1; SMN2
SCHEMBL31737966 0.78 PPID (0.53) PPIDPPIGPPIBPPIAEPHX1
SCHEMBL31738167 0.78 PPID (0.59) PPIDPPIGPPIBPPIAEPHX1

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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