SCHEMBL28075284

SCHEMBL28075284

[N-]=[N+]=NCC1CCCN1C(=O)CNC(=O)NCc1ccc(N)cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPID Q08752 11/20 0.60
PPIB P23284 9/20 0.56
PPIG Q13427 7/20 0.56
EPHX1 P07099 1/20 0.43
PPIA P62937 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40

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
SCHEMBL14644444 1.00 PPID (0.60) PPIDPPIBPPIGEPHX1PPIA
SCHEMBL15834711 0.82 PPID (0.43) PPIDPPIBPPIG
SCHEMBL2033333 0.78 PPID (0.61) PPIDPPIBPPIGHRH3
SCHEMBL2042048 0.77 PPID (0.66) PPIDPPIBPPIGHRH3
SCHEMBL2038192 0.77 PPID (0.70) PPIDPPIBPPIGEPHX1PPIA
SCHEMBL2036090 0.77 PPID (0.63) PPIDPPIBPPIGEPHX1
SCHEMBL12643948 0.75 PPID (0.65) PPIDPPIBPPIGEPHX1PPIA
SCHEMBL2039594 0.75 PPID (0.65) PPIDPPIBPPIGEPHX1PPIA
SCHEMBL2039591 0.75 PPID (0.65) PPIDPPIBPPIGEPHX1PPIA
SCHEMBL19882177 0.74 PPID (0.55) PPIDPPIBPPIGEPHX1PPIA

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-105693597-A New inhibitors of cyclophilins and uses thereof 国家健康与医学研究院(INSERM) 2016-06-22 CN disclosed