SCHEMBL27900090

SCHEMBL27900090

CCCC(=N)C(=O)CNC(=O)NCc1ccc(N)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 11/20 0.58
▸ PPIB P23284 6/20 0.58
▸ PPIG Q13427 4/20 0.58
▸ PPIA P62937 1/20 0.58
▸ EPHX1 P07099 1/20 0.43
▸ EPHX2 P34913 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL15939528 0.77 PPID (0.65) PPIDPPIBPPIGPPIAEPHX1
SCHEMBL15652114 0.76 PPID (0.65) PPIDPPIBPPIGPPIAEPHX1
SCHEMBL12643760 0.75 PPID (0.63) PPIDPPIBPPIGPPIAEPHX1
SCHEMBL6824244 0.75 CYP3A4 (0.66) PPIDPPIBPPIGPPIAEPHX2
SCHEMBL27900091 0.74 PPID (0.46) PPIDPPIBPPIGPPIAMEN1
SCHEMBL2044119 0.73 PPID (1.00) PPIDPPIBPPIGPPIAEPHX1
SCHEMBL27900153 0.73 PPID (0.48) PPIDPPIBPPIGPPIAMEN1
SCHEMBL27900124 0.71 PPID (0.46) PPIDPPIBPPIGPPIAMEN1
SCHEMBL19882140 0.71 PPID (0.58) PPIDPPIBPPIGPPIAEPHX1
SCHEMBL12643755 0.71 SMN1; SMN2 (0.68) PPIDPPIBPPIGPPIAEPHX1

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-A Novel cyclophilin inhibitors and uses thereof INST NAT SANTE RECH MED 2012-12-05 — — CN disclosed
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