SCHEMBL7351443

SCHEMBL7351443

CCC(C)C(NC(=O)C(CC(O)C(CC(C)C)NC(=O)C(Cc1c[nH]cn1)NC(=O)CCSc1ccccc1)C(C)C)C(=O)NCc1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 19/20 0.64
▸ CTSD P07339 2/20 0.48
▸ CTSE P14091 2/20 0.48

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
SCHEMBL7370152 0.77 REN (0.56) RENCTSDCTSE
SCHEMBL9755323 0.77 REN (0.57) RENCTSDCTSE
SCHEMBL9755311 0.75 REN (0.67) RENCTSDCTSE
SCHEMBL11013722 0.74 REN (0.58) REN
SCHEMBL7351457 0.74 MME (0.42) —
SCHEMBL9755316 0.73 REN (0.48) RENCTSDCTSE
SCHEMBL11013919 0.73 REN (0.66) REN
SCHEMBL11010625 0.73 REN (0.66) REN
SCHEMBL14415365 0.73 REN (0.61) RENCTSDCTSE
SCHEMBL7351446 0.72 REN (0.49) RENCTSDCTSE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4894437-A Novel renin inhibiting polypeptide analogs containing S-aryl-D- or L- or DL-cysteinyl, 3-(arylthio)lactic acid or 3-(arylthio)alkyl moieties THE UPJOHN COMPANY (US) 1990-01-16 — — US claimed
EP-0245361-A1 NOVEL RENIN INHIBITING POLYPEPTIDE ANALOGS CONTAINING S-ARYL-D- OR L- OR DL-CYSTEINYL, 3-(ARYLTHIO)LACTIC ACID OR 3-(ARYLTHIO)ALKYL MOIETIES THE UPJOHN COMPANY (US) 1987-11-19 — — EP claimed
WO-1987002986-A1 NOVEL RENIN INHIBITING POLYPEPTIDE ANALOGS CONTAINING S-ARYL-D- OR L- OR DL-CYSTEINYL, 3-(ARYLTHIO)LACTIC ACID OR 3-(ARYLTHIO)ALKYL MOIETIES THE UPJOHN COMPANY (US) 1987-05-21 — — WO claimed
Send feedback