SCHEMBL27900153

SCHEMBL27900153

CCC(C(=N)C(=O)CNC(=O)NCc1ccc(N)cc1)c1ccccc1N

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 14/20 0.48
▸ PPIB P23284 7/20 0.48
▸ PPIG Q13427 7/20 0.48
▸ PPIA P62937 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL27900124 0.89 PPID (0.46) PPIDPPIBPPIGPPIASMN1; SMN2
SCHEMBL27900091 0.89 PPID (0.46) PPIDPPIBPPIGPPIASMN1; SMN2
SCHEMBL27900103 0.80 PPIB (0.51) PPIDPPIBPPIGPPIASMN1; SMN2
SCHEMBL27900089 0.79 OPRM1 (0.45) PPIDPPIBPPIGPPIAMEN1
SCHEMBL28799932 0.78 PPIB (0.47) PPIDPPIBPPIGPPIASMN1; SMN2
SCHEMBL27882615 0.77 PPIB (0.45) PPIDPPIBPPIGPPIASMN1; SMN2
SCHEMBL27882621 0.75 PPID (0.45) PPIDPPIBPPIGPPIASMN1; SMN2
SCHEMBL27900104 0.75 PPID (0.54) PPIDPPIBPPIGPPIASMN1; SMN2
SCHEMBL27900107 0.75 PPID (0.45) PPIDPPIBPPIGPPIASMN1; SMN2
SCHEMBL27900090 0.73 PPID (0.58) PPIDPPIBPPIGPPIASMN1; SMN2

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
Send feedback