SCHEMBL11113260

SCHEMBL11113260

NCCCC[C@@H]([C]=O)NC(CCc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.53
MME P08473 1/20 0.50
LNPEP Q9UIQ6 2/20 0.46
ERAP2 Q6P179 1/20 0.46
ERAP1 Q9NZ08 1/20 0.46
CPB2 Q96IY4 2/20 0.44
MMP2 P08253 2/20 0.43
MMP9 P14780 1/20 0.43
F2 P00734 1/20 0.43
PLG P00747 1/20 0.43
PLAT P00750 1/20 0.43
CPA1 P15085 1/20 0.42
CPA2 P48052 1/20 0.42
CPA4 Q9UI42 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
ANPEP P15144 1/20 0.42
MAOA P21397 1/20 0.41

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
SCHEMBL1133733 1.00 ACE (0.53) ACEMMELNPEPERAP2ERAP1
SCHEMBL4428771 0.87 ACE (0.51) ACELNPEPERAP2ERAP1ANPEP
SCHEMBL661267 0.86 ACE (0.65) ACEMMELNPEPERAP2ERAP1
SCHEMBL5870137 0.86 ACE (0.65) ACEMMELNPEPERAP2ERAP1
SCHEMBL7267746 0.86 ACE (0.65) ACEMMELNPEPERAP2ERAP1
SCHEMBL7276530 0.84 CTSC (0.53) ACEMMELNPEPERAP2ERAP1
SCHEMBL7268746 0.84 CTSC (0.53) ACEMMELNPEPERAP2ERAP1
SCHEMBL6064942 0.83 ANPEP (0.42) ACELNPEPERAP2ERAP1CPB2
SCHEMBL6064398 0.80 ACE (0.70) ACEMMELNPEPERAP2ERAP1
Lysine SCHEMBL6420000 0.79 ACE (0.50) ACEMMELNPEPERAP2ERAP1

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-0109020-A2 Derivatives from tricyclic amino acids, process for their preparation, compounds containing them and their use, as well as bicyclic amino acids as intermediates and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1984-05-23 EP disclosed