SCHEMBL28056208

SCHEMBL28056208

Nc1ccc(CNC(=O)NCC(=O)N2CCCC2c2ccccc2N)cc1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPID Q08752 17/20 0.81
PPIG Q13427 8/20 0.81
PPIB P23284 6/20 0.81
PPIA P62937 1/20 0.53

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
SCHEMBL2035499 0.90 PPID (1.00) PPIDPPIGPPIBPPIA
SCHEMBL2035501 0.90 PPID (1.00) PPIDPPIGPPIBPPIA
SCHEMBL2039389 0.90 PPID (1.00) PPIDPPIGPPIBPPIA
SCHEMBL2042114 0.89 PPID (1.00) PPIDPPIGPPIBPPIA
SCHEMBL2039766 0.87 PPID (1.00) PPIDPPIGPPIBPPIA
SCHEMBL2035819 0.87 PPID (1.00) PPIDPPIGPPIBPPIA
SCHEMBL2043239 0.86 PPID (0.83) PPIDPPIGPPIBPPIA
SCHEMBL2035436 0.86 PPID (0.72) PPIDPPIGPPIBPPIA
SCHEMBL14643166 0.85 PPID (0.72) PPIDPPIGPPIBPPIA
SCHEMBL2035376 0.84 PPID (0.94) PPIDPPIGPPIBPPIA

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
CN-102811998-B Novel cyclophilin inhibitors and uses thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2016-03-30 CN disclosed