SCHEMBL9068704

SCHEMBL9068704

O=C(CCS)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 8/20 0.62
▸ MME P08473 4/20 0.60
▸ NAALAD2 Q9Y3Q0 1/20 0.57
▸ ECE1 P42892 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.55
▸ CPA1 P15085 2/20 0.55
▸ ACE2 Q9BYF1 2/20 0.55

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
SCHEMBL9069218 0.94 MME (0.62) ACEMMECPA1ACE2
SCHEMBL8522310 0.88 ACE (0.61) ACEMMENAALAD2CPA1ACE2
SCHEMBL2806565 0.87 FAAH (0.67) ACENAALAD2
SCHEMBL2806570 0.87 FAAH (0.67) ACENAALAD2
SCHEMBL23227492 0.85 ACE (0.63) ACEMMENAALAD2ECE1NPSR1
SCHEMBL4153101 0.85 ITGB3 (0.65) ACEMMENAALAD2NPSR1
SCHEMBL8750017 0.85 FAAH (0.70) ACE
SCHEMBL5458748 0.85 ITGB3 (0.65) ACEMMENAALAD2NPSR1
SCHEMBL17624790 0.85 NAALAD2 (0.68) ACEMMENAALAD2NPSR1
SCHEMBL1330423 0.85 ACE (0.63) ACEMMENAALAD2ECE1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4339600-A ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1982-07-13 — — US claimed
US-5496805-A DIURETIC, HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1996-03-05 — — US disclosed
US-4339600-A ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1982-07-13 — — US disclosed
US-4199512-A Compounds for alleviating hypertension E. R. SQUIBB & SONS, INC. (US) 1980-04-22 — — US disclosed
US-4173704-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1979-11-06 — — US disclosed
US-4140786-A ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-02-20 — — US disclosed
US-4140797-A MERCAPTOACYL AMINO ACIDS, ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-02-20 — — US disclosed
US-4112119-A MERCAPTOACYL AMINOACIDS E. R. SQUIBB & SONS, INC. (US) 1978-09-05 — — US disclosed
US-4053651-A MERCAPTOACYL AMINO ACIDS, ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1977-10-11 — — US disclosed
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