SCHEMBL7307671

SCHEMBL7307671

CC(C)C[C@H](NC(CCc1cccc2ccccc12)P(=O)(O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 4/20 0.58
ANPEP P15144 3/20 0.58
ERAP1 Q9NZ08 3/20 0.58
ECE1 P42892 8/20 0.57
ACE P12821 3/20 0.54
PYGB P11216 1/20 0.53
MME P08473 1/20 0.52
IL1RN P18510 2/20 0.51
LNPEP Q9UIQ6 1/20 0.51

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
SCHEMBL7304171 0.93 ECE1 (0.63) ERAP2ANPEPERAP1ECE1ACE
SCHEMBL7306489 0.92 ERAP2 (0.68) ERAP2ANPEPERAP1ECE1ACE
SCHEMBL7307608 0.89 ERAP2 (0.62) ERAP2ANPEPERAP1ECE1ACE
SCHEMBL7315378 0.88 ECE1 (0.63) ERAP2ANPEPERAP1ECE1ACE
SCHEMBL7315009 0.88 ERAP2 (0.64) ERAP2ANPEPERAP1ECE1ACE
SCHEMBL7342912 0.87 ECE1 (0.54) ERAP2ANPEPERAP1ECE1ACE
SCHEMBL7306818 0.87 ERAP1 (0.59) ERAP2ANPEPERAP1ECE1ACE
SCHEMBL7315344 0.83 ERAP1 (0.58) ERAP2ANPEPERAP1ECE1PYGB
SCHEMBL7357450 0.83 ECE1 (0.51) ERAP2ANPEPERAP1ECE1ACE
SCHEMBL14223176 0.81 ANPEP (0.58) ERAP2ANPEPERAP1ECE1ACE

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