SCHEMBL7351446

SCHEMBL7351446

CCC(C)C(NC(=O)C(CC(O)C(CC(C)C)[N+]1(NC(=O)CCSc2ccccc2)C=NC(CCC(N)=O)=C1)C(C)C)C(=O)NCc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 18/20 0.49
▸ CTSD P07339 3/20 0.42
▸ CTSE P14091 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL14415365 0.72 REN (0.61) RENCTSDCTSEALDH1A1
SCHEMBL7351443 0.72 REN (0.64) RENCTSDCTSE
SCHEMBL9755311 0.66 REN (0.67) RENCTSDCTSE
SCHEMBL9640485 0.65 REN (0.54) RENCTSDCTSE
SCHEMBL10378904 0.64 POLB (0.54) RENCTSDCTSEALDH1A1
SCHEMBL10448076 0.63 REN (0.54) RENCTSDCTSEALDH1A1
SCHEMBL15532120 0.63 REN (0.81) RENCTSDCTSE
Hydrochloric Acid SCHEMBL10431267 0.60 CYP3A4 (0.58) RENCTSDCTSEALDH1A1
SCHEMBL14415384 0.60 REN (0.55) RENCTSDCTSE
SCHEMBL14420310 0.60 REN (0.55) 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
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