SCHEMBL10431341

SCHEMBL10431341

CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(N)=O)N(C(=O)CN)C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.33
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ REN P00797 1/20 0.30

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
SCHEMBL10431137 0.79 ACE (0.39) ACEREN
SCHEMBL11014616 0.78 F2 (0.35) ACEREN
SCHEMBL10431448 0.78 ACE (0.33) ACE
SCHEMBL16359592 0.75 ACE (0.39) ACE
SCHEMBL31020879 0.73 ACE (0.38) ACEREN
SCHEMBL30343746 0.70 ERAP2 (0.34) —
SCHEMBL30873804 0.70 FCER2 (0.41) REN
SCHEMBL27756043 0.69 PARP1 (0.33) —
SCHEMBL29384685 0.69 ECE1 (0.37) ACEREN
SCHEMBL29517172 0.69 ERAP2 (0.35) ACEREN

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