SCHEMBL11012174

SCHEMBL11012174

CC[C@H](C)[C@H](Nc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.43
▸ MMP1 P03956 2/20 0.41
▸ REN P00797 6/20 0.38
▸ FCER2 P06734 1/20 0.37
▸ MME P08473 1/20 0.36
▸ CPA1 P15085 1/20 0.36
▸ ACE2 Q9BYF1 1/20 0.36
▸ PSMB5 P28074 1/20 0.36
▸ ERAP2 Q6P179 3/20 0.35
▸ ERAP1 Q9NZ08 3/20 0.35
▸ LNPEP Q9UIQ6 3/20 0.35
▸ CDK4 P11802 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CCND1 P24385 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CCNA1 P78396 1/20 0.35
▸ ECE1 P42892 1/20 0.35

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
SCHEMBL11014003 0.81 REN (0.47) ACERENMMECPA1ACE2
SCHEMBL16359592 0.81 ACE (0.39) ACEMMP1FCER2MMECPA1
SCHEMBL11009837 0.79 ACE (0.34) ACEMMP1RENCDK4CCNA2
SCHEMBL13363654 0.79 ACE (0.49) ACERENMMECPA1ACE2
SCHEMBL31020879 0.79 ACE (0.38) ACEMMP1RENFCER2ERAP2
SCHEMBL11014616 0.78 F2 (0.35) ACEREN
SCHEMBL10506297 0.78 ACE (0.40) ACEMMECPA1ACE2ECE1
SCHEMBL10687094 0.78 ACE (0.40) ACEMMECPA1ACE2ECE1
SCHEMBL10687059 0.78 ACE (0.40) ACEMMECPA1ACE2ECE1
SCHEMBL10431137 0.78 ACE (0.39) ACEMMP1RENFCER2MME

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-0143746-A2 5-Amino 4-hydroxy-valeryl-substituted derivatives CIBA-GEIGY AG (CH) 1985-06-05 — — EP disclosed
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