SCHEMBL10431112

SCHEMBL10431112

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

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 18/20 0.48
▸ ACE P12821 1/20 0.36
▸ CTSD P07339 1/20 0.36

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
SCHEMBL7355295 0.92 REN (0.44) RENACE
SCHEMBL7355301 0.92 REN (0.44) RENACE
SCHEMBL10447999 0.92 REN (0.42) RENCTSD
SCHEMBL10447998 0.92 REN (0.42) RENCTSD
SCHEMBL8252710 0.81 REN (0.38) RENACECTSD
SCHEMBL11010625 0.80 REN (0.66) REN
SCHEMBL11013919 0.80 REN (0.66) REN
SCHEMBL29641501 0.78 CTSD (0.44) RENCTSD
SCHEMBL16359592 0.77 ACE (0.39) ACE
SCHEMBL30684922 0.77 CTSD (0.44) RENCTSD

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
EP-0400290-A1 5-Amino-4-hydroxyvalerianic acid derivatives useful as intermediates in the preparation of renin inhibitors CIBA-GEIGY AG (CH) 1990-12-05 — — EP claimed
EP-0129690-A2 Process for the preparation of 4,4',7,7'-tetrachlorothioindigo pigments BAYER AG (DE) 1985-01-02 — — EP disclosed
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