SCHEMBL7430939

SCHEMBL7430939

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 6/20 0.58
▸ ACE P12821 1/20 0.55
▸ PSMB5 P28074 5/20 0.53
▸ PSMB1 P20618 2/20 0.52
▸ PSMB2 P49721 2/20 0.52
▸ PSEN1 P49768 1/20 0.49
▸ PSEN2 P49810 1/20 0.49
▸ APH1B Q8WW43 1/20 0.49
▸ NCSTN Q92542 1/20 0.49
▸ APH1A Q96BI3 1/20 0.49
▸ PSENEN Q9NZ42 1/20 0.49
▸ CTSS P25774 2/20 0.49
▸ CTSL P07711 1/20 0.49
▸ CTSB P07858 1/20 0.49
▸ CTSK P43235 1/20 0.49

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
SCHEMBL6369971 0.89 ACE (0.67) ACECTSSCTSLCTSBCTSK
SCHEMBL22962260 0.87 REN (0.61) RENACEPSMB5PSEN1PSEN2
SCHEMBL25378366 0.87 PTPN1 (0.54) ACEPSMB5PSMB1PSMB2CTSS
SCHEMBL25378369 0.87 PTPN1 (0.54) ACEPSMB5PSMB1PSMB2CTSS
SCHEMBL22962329 0.86 REN (0.61) RENACEPSMB5PSEN1PSEN2
SCHEMBL20516080 0.86 REN (0.61) RENACEPSMB5PSEN1PSEN2
SCHEMBL20669327 0.86 REN (0.61) RENACEPSMB5PSEN1PSEN2
SCHEMBL28617007 0.86 REN (0.61) RENACEPSMB5PSEN1PSEN2
SCHEMBL28617005 0.86 REN (0.61) RENACEPSMB5PSEN1PSEN2
SCHEMBL30559600 0.86 CHRNB2 (0.57) PSMB5PSMB1PSMB2CTSSCTSL

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
US-4981843-A HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1991-01-01 — — US disclosed
EP-0337295-A2 Renin-inhibiting N-heterocyclic dipeptides E.R. Squibb & Sons, Inc. (US) 1989-10-18 — — EP disclosed
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