SCHEMBL8387115

SCHEMBL8387115

CC(C)C[C@H](NC(=O)C(S)CCCN1C(=O)c2ccccc2C1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 10/20 0.67
ACE P12821 2/20 0.58
ERAP2 Q6P179 4/20 0.57
IL1RN P18510 3/20 0.53
ERAP1 Q9NZ08 2/20 0.53

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
SCHEMBL6413187 0.93 ECE1 (0.56) ECE1
SCHEMBL7383963 0.93 ECE1 (0.56) ECE1
SCHEMBL7432650 0.93 ECE1 (0.56) ECE1
SCHEMBL6950472 0.87 MAPT (0.52) ECE1ERAP2ERAP1
SCHEMBL8387108 0.84 MME (0.58) ACE
SCHEMBL7384525 0.84 MME (0.58) ACE
SCHEMBL6953525 0.83 MME (0.57) ACE
SCHEMBL8387205 0.83 ECE1 (0.70) ECE1ACEERAP2IL1RNERAP1
SCHEMBL7284438 0.82 MMP9 (0.60) ECE1ERAP2
SCHEMBL7284453 0.82 MMP9 (0.60) ECE1ERAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0784629-B1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEASES DARWIN DISCOVERY LTD (GB) 1999-04-28 EP claimed