SCHEMBL10421141

SCHEMBL10421141

CC(C)OC(=O)C(N)(O)[C@H](CC1CCCCC1)C(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 13/20 0.42
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNB4 P30926 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2A Q12879 1/20 0.37
▸ GRM1 Q13255 1/20 0.37
▸ CTSS P25774 1/20 0.36
▸ METAP2 P50579 1/20 0.35
▸ METAP1 P53582 1/20 0.35
▸ LTA4H P09960 1/20 0.34
▸ MME P08473 1/20 0.34
▸ ACE P12821 1/20 0.34
▸ CPA1 P15085 1/20 0.34
▸ ACE2 Q9BYF1 1/20 0.34
▸ CTSL P07711 1/20 0.34

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
SCHEMBL10709091 0.91 REN (0.39) REN
SCHEMBL10422492 0.90 REN (0.48) REN
SCHEMBL10421139 0.82 REN (0.52) REN
SCHEMBL10421337 0.78 REN (0.49) REN
SCHEMBL10422706 0.77 REN (0.48) REN
SCHEMBL8484478 0.76 MMP9 (0.47) RENCTSSMMEACECPA1
SCHEMBL8484484 0.76 MMP9 (0.47) RENCTSSMMEACECPA1
SCHEMBL10422425 0.76 REN (0.45) RENCTSS
SCHEMBL10421231 0.76 REN (0.46) REN
SCHEMBL10420913 0.75 REN (0.46) RENLTA4H

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-4904660-A HYPOTENSIVE AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1990-02-27 — — US disclosed
EP-0281316-A2 Renin inhibitors YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-09-07 — — EP disclosed
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