SCHEMBL7286077

SCHEMBL7286077

O=C(N[C@@H](Cc1cscn1)C(=O)O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 12/20 0.53
▸ HRH4 Q9H3N8 1/20 0.44
▸ PSMB5 P28074 2/20 0.43
▸ MMP2 P08253 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MMP8 P22894 1/20 0.42
▸ PIN1 Q13526 2/20 0.42
▸ CNR2 P34972 1/20 0.41
▸ CAPN1 P07384 1/20 0.40

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
SCHEMBL7286089 1.00 REN (0.53) RENHRH4PSMB5MMP2MMP9
SCHEMBL10422508 0.86 REN (0.52) RENHRH4MMP2MMP9MMP8
SCHEMBL10422511 0.85 REN (0.48) RENHRH4MMP2MMP9MMP8
Water SCHEMBL10422512 0.85 REN (0.52) RENHRH4MMP2MMP9MMP8
SCHEMBL10866334 0.85 HRH4 (0.55) RENHRH4MMP2MMP9MMP8
SCHEMBL10866332 0.85 HRH4 (0.55) RENHRH4MMP2MMP9MMP8
SCHEMBL10421161 0.83 REN (0.49) RENHRH4MMP2MMP9MMP8
SCHEMBL10421173 0.82 REN (0.46) RENHRH4MMP2MMP9MMP8
SCHEMBL10572007 0.82 REN (0.59) RENHRH4MMP2MMP9MMP8
SCHEMBL10772032 0.81 REN (0.64) RENPSMB5

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-5378690-A Treatment of angiotensin induced hypertension SANKYO COMPANY, LIMITED (JP) 1995-01-03 — — US disclosed
EP-0274259-A2 New renin-inhibitory oligopeptides, their preparaton and their use Sankyo Company Limited (JP) 1988-07-13 — — EP disclosed
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