SCHEMBL27900089

SCHEMBL27900089

CCC(C(=N)C(=O)CNC(=O)NCc1ccc(N)cc1)c1cccc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 6/20 0.45
▸ PPID Q08752 5/20 0.45
▸ OPRL1 P41146 5/20 0.45
▸ PPIB P23284 4/20 0.45
▸ PPIG Q13427 3/20 0.45
▸ PPIA P62937 1/20 0.45
▸ KCNQ2 O43526 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ANPEP P15144 1/20 0.36

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
SCHEMBL27882615 0.87 PPIB (0.45) OPRM1PPIDOPRL1PPIBPPIG
SCHEMBL28799932 0.86 PPIB (0.47) PPIDPPIBPPIGPPIAKCNQ2
SCHEMBL27900107 0.80 PPID (0.45) PPIDPPIBPPIGPPIAMEN1
SCHEMBL27900091 0.80 PPID (0.46) PPIDPPIBPPIGPPIAMEN1
SCHEMBL27900153 0.79 PPID (0.48) PPIDPPIBPPIGPPIAMEN1
SCHEMBL27900103 0.79 PPIB (0.51) PPIDPPIBPPIGPPIAMEN1
SCHEMBL27900124 0.78 PPID (0.46) PPIDPPIBPPIGPPIAMEN1
SCHEMBL27882621 0.74 PPID (0.45) PPIDPPIBPPIGPPIA
SCHEMBL27900104 0.70 PPID (0.54) PPIDPPIBPPIGPPIA
SCHEMBL27900090 0.70 PPID (0.58) PPIDPPIBPPIGPPIAMEN1

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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