SCHEMBL27499487

SCHEMBL27499487

CC(C)CC(NC(=O)Cc1ccccc1)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCNCC1C

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.49
NMUR2 Q9GZQ4 5/20 0.47
NMUR1 Q9HB89 4/20 0.47
CTSD P07339 2/20 0.46
ACE P12821 4/20 0.43
ACE2 Q9BYF1 4/20 0.43
CTSE P14091 1/20 0.42
BACE1 P56817 1/20 0.42
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
MC4R P32245 1/20 0.42
EPHA2 P29317 1/20 0.41

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
SCHEMBL8060131 0.87 ACE (0.56) RENNMUR2ACEACE2
SCHEMBL7411063 0.87 ACE (0.56) RENNMUR2ACEACE2
SCHEMBL2045662 0.85 REN (0.54) RENNMUR2NMUR1CTSDACE
SCHEMBL7419554 0.85 REN (0.54) RENNMUR2NMUR1CTSDACE
SCHEMBL5208748 0.78 CTSD (0.49) CTSDACEACE2CTSEBACE1
SCHEMBL8334047 0.77 CALCRL (0.49) RENNMUR2CTSDCTSEBACE1
SCHEMBL6374240 0.75 OPRM1 (0.52) ACEACE2
SCHEMBL15251857 0.74 MEN1 (0.57) ACEACE2ITGB1ITGA4
SCHEMBL15251858 0.74 MEN1 (0.57) ACEACE2ITGB1ITGA4
SCHEMBL30788009 0.74 NMUR2 (0.53) NMUR2NMUR1ACEACE2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1193325-A cell adhesion inhibitors BIOGEN INC (US) 1998-09-16 CN claimed
CN-1195778-C cell adhesion inhibitors BIOGEN INC (US) 2005-04-06 CN disclosed
CN-1193325-A cell adhesion inhibitors BIOGEN INC (US) 1998-09-16 CN disclosed