SCHEMBL7306818

SCHEMBL7306818

COc1ccc(CCC(N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)P(=O)(O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 6/20 0.59
ERAP2 Q6P179 6/20 0.59
ANPEP P15144 5/20 0.59
KMT2A Q03164 1/20 0.58
PYGB P11216 1/20 0.55
ECE1 P42892 7/20 0.55
IL1RN P18510 3/20 0.54
LNPEP Q9UIQ6 1/20 0.53
MME P08473 1/20 0.52
ACE P12821 1/20 0.52
ITGB2 P05107 1/20 0.52
ICAM1 P05362 1/20 0.52
ITGAL P20701 1/20 0.52

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
SCHEMBL7306489 0.93 ERAP2 (0.68) ERAP1ERAP2ANPEPPYGBECE1
SCHEMBL7307608 0.91 ERAP2 (0.62) ERAP1ERAP2ANPEPPYGBECE1
SCHEMBL7304171 0.90 ECE1 (0.63) ERAP1ERAP2ANPEPPYGBECE1
SCHEMBL7315009 0.89 ERAP2 (0.64) ERAP1ERAP2ANPEPPYGBECE1
SCHEMBL7307671 0.87 ERAP2 (0.58) ERAP1ERAP2ANPEPPYGBECE1
SCHEMBL7315378 0.86 ECE1 (0.63) ERAP1ERAP2ANPEPPYGBECE1
SCHEMBL14223176 0.83 ANPEP (0.58) ERAP1ERAP2ANPEPECE1IL1RN
SCHEMBL14193654 0.83 ANPEP (0.58) ERAP1ERAP2ANPEPECE1IL1RN
SCHEMBL7327655 0.83 PYGB (0.69) ERAP1ERAP2ANPEPPYGBECE1
SCHEMBL17813732 0.83 PYGB (0.69) ERAP1ERAP2ANPEPPYGBECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5380921-A Enzyme inhibitors for endothelin converting enzyme for cardiovascular disorders and atherosclerosis BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-01-10 US disclosed
EP-0623625-A1 Aminophosphonic acid derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-11-09 EP disclosed