SCHEMBL28056141

SCHEMBL28056141

COc1cccc(C2CCCN2C(=O)CNC(=O)NCc2ccc(N)cc2)c1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPID Q08752 11/20 0.74
PPIG Q13427 6/20 0.69
PPIB P23284 6/20 0.69
PREP P48147 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRK1 P41145 1/20 0.45
ROCK2 O75116 1/20 0.45

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
SCHEMBL28056216 0.97 PPID (0.70) PPIDPPIGPPIBPREPMEN1
SCHEMBL2040043 0.86 PPID (0.78) PPIDPPIGPPIBOPRM1OPRK1
SCHEMBL2040168 0.85 PPID (0.79) PPIDPPIGPPIBHRH3
SCHEMBL31738100 0.84 PPID (0.73) PPIDPPIGPPIBMEN1KMT2A
SCHEMBL2039970 0.84 PPID (0.74) PPIDPPIGPPIBHRH3
SCHEMBL28826538 0.81 PPID (0.74) PPIDPPIGPPIB
SCHEMBL2039766 0.81 PPID (1.00) PPIDPPIGPPIB
SCHEMBL2039651 0.81 PPID (0.73) PPIDPPIGPPIBHRH3
SCHEMBL12643852 0.80 PPID (0.78) PPIDPPIGPPIBPREP
SCHEMBL2035376 0.79 PPID (0.94) PPIDPPIGPPIB

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