SCHEMBL7313675

SCHEMBL7313675

CC(C)C[C@H](NCP(=O)(OCc1ccccc1)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 7/20 0.61
ERAP2 Q6P179 5/20 0.57
ERAP1 Q9NZ08 3/20 0.57
IL1RN P18510 3/20 0.57
ACE P12821 3/20 0.57
MME P08473 1/20 0.57
ANPEP P15144 1/20 0.57

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
SCHEMBL7313702 0.93 ECE1 (0.61) ECE1ERAP2ERAP1IL1RNACE
SCHEMBL7304271 0.92 ERAP2 (0.51) ECE1ERAP2ERAP1IL1RNACE
SCHEMBL8200511 0.91 KDM4E (0.51) ECE1ERAP2ERAP1IL1RNACE
SCHEMBL7306796 0.89 ECE1 (0.65) ECE1ERAP2ERAP1IL1RNACE
SCHEMBL27459375 0.89 ECE1 (0.65) ECE1ERAP2ERAP1IL1RNACE
SCHEMBL8200899 0.86 ERAP1 (0.67) ECE1ERAP2ERAP1IL1RNANPEP
SCHEMBL7305118 0.86 ECE1 (0.68) ECE1ERAP2ERAP1ACEMME
SCHEMBL8908474 0.85 ERAP2 (0.56) ECE1ERAP2ERAP1IL1RN
SCHEMBL9289633 0.83 ECE1 (0.62) ECE1ERAP2ERAP1IL1RNACE
SCHEMBL12052806 0.83 NMBR (0.71) ECE1ERAP2ERAP1IL1RNMME

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