SCHEMBL7306796

SCHEMBL7306796

COP(=O)(CN[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)OC

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 7/20 0.65
ACE P12821 3/20 0.61
ERAP2 Q6P179 6/20 0.59
IL1RN P18510 4/20 0.59
ERAP1 Q9NZ08 4/20 0.59
MME P08473 1/20 0.58
ANPEP P15144 1/20 0.55

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
SCHEMBL27459375 1.00 ECE1 (0.65) ECE1ACEERAP2IL1RNERAP1
SCHEMBL7305118 0.90 ECE1 (0.68) ECE1ACEERAP2ERAP1MME
SCHEMBL7313675 0.89 ECE1 (0.61) ECE1ACEERAP2IL1RNERAP1
SCHEMBL7313702 0.86 ECE1 (0.61) ECE1ACEERAP2IL1RNERAP1
SCHEMBL14503216 0.84 ECE1 (0.71) ECE1ACEERAP2ERAP1MME
SCHEMBL29562240 0.84 ECE1 (0.71) ECE1ACEERAP2ERAP1MME
SCHEMBL4959992 0.81 ERAP2 (0.75) ECE1ACEERAP2IL1RNERAP1
SCHEMBL4959976 0.81 ERAP2 (0.75) ECE1ACEERAP2IL1RNERAP1
SCHEMBL21411572 0.81 ECE1 (0.73) ECE1ACEERAP2
SCHEMBL21411574 0.81 ECE1 (0.73) ECE1ACEERAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691985-B1 PHOSPHONOMETHYLDIPEPTIDES MERRELL PHARMA INC (US) 2000-05-03 EP disclosed
US-5608078-A Phosphonomethyldipeptides and process for preparation thereof MERRELL PHARMACEUTICALS INC. (US) 1997-03-04 US disclosed
EP-0691985-A1 PHOSPHONOMETHYLDIPEPTIDES MERRELL PHARMACEUTICALS INC. (US) 1996-01-17 EP disclosed
WO-1994022908-A1 PHOSPHONOMETHYLDIPEPTIDES MERRELL DOW PHARMACEUTICALS INC. (US) 1994-10-13 WO disclosed
EP-0618224-A1 Phosphonomethyldipeptides MERRELL DOW PHARMACEUTICALS INC. (US) 1994-10-05 EP disclosed