SCHEMBL11004279

SCHEMBL11004279

C[C@H](NCC(S)C(Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 16/20 0.61
▸ ACE2 Q9BYF1 9/20 0.61

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
SCHEMBL10944258 1.00 ACE (0.61) ACEACE2
SCHEMBL7365884 0.92 ACE (0.61) ACEACE2
SCHEMBL7361792 0.92 ACE (0.61) ACEACE2
SCHEMBL11038053 0.87 ACE (0.65) ACEACE2
SCHEMBL11038051 0.87 ACE (0.65) ACEACE2
SCHEMBL10942007 0.85 ACE (0.58) ACEACE2
SCHEMBL7321808 0.83 ACE (0.65) ACEACE2
SCHEMBL7321819 0.83 ACE (0.65) ACEACE2
SCHEMBL10655570 0.81 ACE (0.76) ACEACE2
SCHEMBL10656703 0.81 ACE (0.76) ACEACE2

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-4558150-A ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1985-12-10 — — US disclosed
US-4500518-A ANALGESICS, HYPTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1985-02-19 — — US disclosed
Send feedback