SCHEMBL31737542

SCHEMBL31737542

CC(C)(C)N(CC(=O)N1CCCN1c1cccc(C#N)c1)C(=O)O.N#Cc1cccc(N2CCCN2C(=O)CNC(=O)NCc2ccc(N)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 11/20 0.43
▸ PPIG Q13427 7/20 0.38
▸ PPIB P23284 8/20 0.37
▸ MCHR1 Q99705 1/20 0.36
▸ METAP2 P50579 1/20 0.36
▸ PPIA P62937 1/20 0.36
▸ KLKB1 P03952 1/20 0.34
▸ KLK1 P06870 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CLPP Q16740 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL31737999 0.90 PPID (0.48) PPIDPPIGPPIBMETAP2PPIA
SCHEMBL31737796 0.89 PPID (0.54) PPIDPPIGPPIBMCHR1METAP2
SCHEMBL31737821 0.86 PPID (0.42) PPIDPPIGPPIBPPIAKLKB1
SCHEMBL31738268 0.83 PPID (0.48) PPIDPPIGPPIBPPIA
SCHEMBL31737814 0.81 PPID (0.44) PPIDPPIGPPIBPPIA
SCHEMBL31738218 0.81 PPID (0.43) PPIDPPIGPPIBPPIA
SCHEMBL31738099 0.81 PPID (0.43) PPIDPPIGPPIBPPIASMN1; SMN2
SCHEMBL31738222 0.81 PPID (0.43) PPIDPPIGPPIBPPIASMN1; SMN2
SCHEMBL31738252 0.80 PPID (0.43) PPIDPPIGPPIBPPIASMN1; SMN2
SCHEMBL31738347 0.79 PPID (0.61) PPIDPPIGPPIBMETAP2PPIA

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 disclosed
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