SCHEMBL10722646

SCHEMBL10722646

NNC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.48
▸ REN P00797 1/20 0.48
▸ CASP1 P29466 3/20 0.46
▸ CTSB P07858 4/20 0.44
▸ CTSK P43235 1/20 0.44
▸ CTSL P07711 4/20 0.43
▸ CTSS P25774 3/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HRH4 Q9H3N8 1/20 0.43
▸ MC4R P32245 1/20 0.42
▸ NMBR P28336 1/20 0.42

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
SCHEMBL10725297 0.92 CASP3 (0.50) CASP3RENCASP1CTSBCTSK
SCHEMBL10725301 0.92 CASP3 (0.50) CASP3RENCASP1CTSBCTSK
SCHEMBL10720671 0.87 CTSB (0.51) CASP3RENCASP1CTSBCTSK
SCHEMBL10639324 0.85 REN (0.52) CASP3RENCASP1CTSBCTSK
SCHEMBL10724728 0.84 REN (0.59) CASP3RENCTSBCTSK
SCHEMBL10724731 0.84 REN (0.59) CASP3RENCTSBCTSK
SCHEMBL10869262 0.84 HRH4 (0.45) RENCTSBCTSKCTSSHRH4
SCHEMBL10722651 0.83 CASP1 (0.46) CASP3RENCASP1CTSBCTSK
SCHEMBL10720680 0.82 CTSK (0.60) CASP3RENCTSBCTSKCTSL
SCHEMBL10720786 0.82 MC4R (0.56) CASP3RENCASP1CTSBCTSK

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-4698329-A HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 1987-10-06 — — US disclosed
EP-0152255-A2 New renin-inhibitory peptides and their use SANKYO COMPANY LIMITED (JP) 1985-08-21 — — EP disclosed
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