SCHEMBL12831754

SCHEMBL12831754

CCOC(=O)[C@H]1C[C@H]1/C=C\CCCCC[C@H](Nc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
P2RY12 Q9H244 1/20 0.37
HTT P42858 1/20 0.37
F2 P00734 1/20 0.35
F10 P00742 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
SCHEMBL13071528 0.93 DPP4 (0.36) ACELMNASMN1; SMN2P2RY12F2
SCHEMBL13072076 0.91 ACE (0.35) ACELMNASMN1; SMN2P2RY12F2
SCHEMBL13071527 0.91 DPP4 (0.39) ACELMNASMN1; SMN2P2RY12F2
SCHEMBL13071404 0.90 ALDH1A1 (0.39) ACELMNASMN1; SMN2
SCHEMBL13071526 0.86 UBE2M (0.35) ACEF2F10
SCHEMBL13071880 0.85 UBE2M (0.34) ACESMN1; SMN2
SCHEMBL13071425 0.85 ACE (0.38) ACEF2
SCHEMBL13071897 0.85 F2 (0.41) ACEF2F10
SCHEMBL13071388 0.84 HTR1A (0.38) ACELMNASMN1; SMN2F2F10
SCHEMBL12831720 0.84 ACE (0.37) ACEF2

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
WO-2011038293-A1 CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-31 WO disclosed