SCHEMBL27900107

SCHEMBL27900107

CCC(C(=N)C(=O)CNC(=O)NCc1ccc(N)cc1)c1ccc(Cl)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 6/20 0.45
▸ PPIB P23284 5/20 0.45
▸ PPIG Q13427 4/20 0.45
▸ PPIA P62937 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.40
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PTPN1 P18031 2/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL28799932 0.84 PPIB (0.47) PPIDPPIBPPIGPPIAALDH1A1
SCHEMBL27900103 0.81 PPIB (0.51) PPIDPPIBPPIGPPIAMEN1
SCHEMBL27900089 0.80 OPRM1 (0.45) PPIDPPIBPPIGPPIAMEN1
SCHEMBL27882615 0.77 PPIB (0.45) PPIDPPIBPPIGPPIAALDH1A1
SCHEMBL27900153 0.75 PPID (0.48) PPIDPPIBPPIGPPIAMEN1
SCHEMBL27900124 0.73 PPID (0.46) PPIDPPIBPPIGPPIAMEN1
SCHEMBL27900091 0.73 PPID (0.46) PPIDPPIBPPIGPPIAALDH1A1
SCHEMBL27900104 0.68 PPID (0.54) PPIDPPIBPPIGPPIAPTPN1
SCHEMBL27900090 0.68 PPID (0.58) PPIDPPIBPPIGPPIAMEN1
SCHEMBL27882621 0.66 PPID (0.45) PPIDPPIBPPIGPPIAALDH1A1

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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