SCHEMBL16359592

SCHEMBL16359592

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.39
▸ CIT O14578 1/20 0.35
▸ ERAP2 Q6P179 6/20 0.34
▸ ERAP1 Q9NZ08 5/20 0.34
▸ LNPEP Q9UIQ6 5/20 0.34
▸ ECE1 P42892 2/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ FCER2 P06734 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ MME P08473 1/20 0.32
▸ CPA1 P15085 1/20 0.32
▸ ACE2 Q9BYF1 1/20 0.32
▸ TERT O14746 1/20 0.32
▸ ANPEP P15144 2/20 0.32
▸ IL1RN P18510 2/20 0.32
▸ GRB2 P62993 1/20 0.32

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
SCHEMBL31020879 0.98 ACE (0.38) ACECITERAP2ERAP1LNPEP
SCHEMBL30874984 0.91 ACE (0.42) ACEMMECPA1ACE2
SCHEMBL15011307 0.91 ACE (0.42) ACEMMECPA1ACE2
SCHEMBL15011306 0.91 ACE (0.42) ACEMMECPA1ACE2
SCHEMBL29517172 0.89 ERAP2 (0.35) ACEERAP2ERAP1LNPEPECE1
SCHEMBL29384685 0.89 ECE1 (0.37) ACEERAP2ERAP1LNPEPECE1
Hydrochloric Acid SCHEMBL10448582 0.87 ALDH1A1 (0.36) CITERAP2ERAP1KDM4EMAPT
Hydrochloric Acid SCHEMBL10448581 0.87 ALDH1A1 (0.36) CITERAP2ERAP1KDM4EMAPT
SCHEMBL31020882 0.87 ECE1 (0.36) ERAP2ERAP1LNPEPECE1MMP1
SCHEMBL31318666 0.85 ENPEP (0.41) ACELNPEPMMECPA1ACE2

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
WO-2010053548-A2 PTHR1 RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. (US) 2010-05-14 — — WO disclosed
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