SCHEMBL7275745

SCHEMBL7275745

NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(CC(=O)N1CCC(N)CC1)Cc1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 12/20 0.53
▸ HRH4 Q9H3N8 1/20 0.37
▸ MMP2 P08253 2/20 0.35
▸ MMP9 P14780 2/20 0.35
▸ MMP8 P22894 2/20 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
SCHEMBL7275751 1.00 REN (0.53) RENHRH4MMP2MMP9MMP8
SCHEMBL7276181 0.87 REN (0.51) REN
SCHEMBL7272851 0.87 REN (0.51) REN
SCHEMBL10751142 0.85 REN (0.47) RENHRH4MMP2MMP9MMP8
SCHEMBL8481273 0.84 HRH4 (0.47) RENHRH4MMP2MMP9MMP8
SCHEMBL8481278 0.84 HRH4 (0.47) RENHRH4MMP2MMP9MMP8
SCHEMBL10753464 0.84 REN (0.48) RENHRH4MMP2MMP9MMP8
SCHEMBL10422508 0.83 REN (0.52) RENHRH4MMP2MMP9MMP8
SCHEMBL10874442 0.82 REN (0.52) RENHRH4MMP2MMP9MMP8
SCHEMBL7336372 0.82 REN (0.52) RENHRH4MMP2MMP9MMP8

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
WO-1992007845-A1 DERIVATIVES OF AMINO ACIDS AS INHIBITORS OF RENIN, METHODS FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-14 — — WO disclosed
EP-0483403-A1 Derivatives of amino acids as inhibitors of renin, methods for their preparation, medicaments containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-06 — — EP disclosed
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