SCHEMBL7312422

SCHEMBL7312422

CC(C)C[C@H](NCP(=O)(O)O)C(=O)NC(CCc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 6/20 0.56
ERAP2 Q6P179 7/20 0.54
ERAP1 Q9NZ08 5/20 0.54
ANPEP P15144 4/20 0.54
ACE P12821 3/20 0.52
MME P08473 1/20 0.51
IL1RN P18510 4/20 0.49
LNPEP Q9UIQ6 1/20 0.49
PYGB P11216 1/20 0.49

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
SCHEMBL7305118 0.90 ECE1 (0.68) ECE1ERAP2ERAP1ANPEPACE
SCHEMBL2996583 0.87 KMT2A (0.51) ERAP2ACE
SCHEMBL7304271 0.87 ERAP2 (0.51) ECE1ERAP2ERAP1ANPEPACE
SCHEMBL27435446 0.83 IL1RN (0.55) ECE1ERAP2ERAP1ANPEPIL1RN
SCHEMBL27435445 0.83 IL1RN (0.55) ECE1ERAP2ERAP1ANPEPIL1RN
SCHEMBL7304171 0.83 ECE1 (0.63) ECE1ERAP2ERAP1ANPEPACE
SCHEMBL7300970 0.82 ECE1 (0.61) ECE1ERAP2ERAP1ANPEPACE
SCHEMBL7306796 0.80 ECE1 (0.65) ECE1ERAP2ERAP1ANPEPACE
SCHEMBL27459375 0.80 ECE1 (0.65) ECE1ERAP2ERAP1ANPEPACE
SCHEMBL7305511 0.80 CCKBR (0.64) ECE1ERAP2ACE

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

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