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SCHEMBL11018235

SCHEMBL11018235

CCC(C)C(NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(O)CC(=O)N[C@H](CO)C(C)CC

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 9/20 0.47
▸ CTSB P07858 1/20 0.44
▸ CTSK P43235 1/20 0.44
▸ CASP3 P42574 4/20 0.44
▸ MME P08473 1/20 0.40
▸ ACE P12821 1/20 0.40
▸ CPA1 P15085 1/20 0.40
▸ ACE2 Q9BYF1 1/20 0.40
▸ CASP1 P29466 3/20 0.38
▸ CTSD P07339 1/20 0.37
▸ CASP7 P55210 3/20 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
SCHEMBL11018251 1.00 REN (0.47) RENCTSBCTSKCASP3MME
SCHEMBL10720656 0.92 REN (0.56) RENCTSBCTSKCTSD
SCHEMBL10720663 0.92 REN (0.56) RENCTSBCTSKCTSD
SCHEMBL10725407 0.90 REN (0.49) RENCTSBCTSKCASP3MME
SCHEMBL10725419 0.90 REN (0.49) RENCTSBCTSKCASP3MME
SCHEMBL10721196 0.90 REN (0.56) RENCTSBCTSKCASP3
SCHEMBL10721203 0.90 REN (0.56) RENCTSBCTSKCASP3
SCHEMBL10720972 0.89 REN (0.51) RENCTSBCTSKCASP3MME
SCHEMBL10720980 0.89 REN (0.51) RENCTSBCTSKCASP3MME
SCHEMBL10724673 0.88 CTSK (0.56) RENCTSBCTSKCASP3CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0152255-A2 New renin-inhibitory peptides and their use SANKYO COMPANY LIMITED (JP) 1985-08-21 — — EP disclosed
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