SCHEMBL10786140

SCHEMBL10786140

C[C@H](NCC(O)[C@@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 12/20 0.56
▸ LTA4H P09960 4/20 0.53
▸ LMNA P02545 1/20 0.52
▸ ACE2 Q9BYF1 4/20 0.52

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
SCHEMBL10786135 1.00 ACE (0.56) ACELTA4HLMNAACE2
SCHEMBL11313252 0.84 ACE (0.56) ACELTA4HLMNAACE2
SCHEMBL11313236 0.84 ACE (0.56) ACELTA4HLMNAACE2
SCHEMBL7365884 0.84 ACE (0.61) ACEACE2
SCHEMBL7361792 0.84 ACE (0.61) ACEACE2
SCHEMBL7334469 0.82 ACE (0.65) ACELTA4HLMNAACE2
SCHEMBL7334467 0.82 ACE (0.65) ACELTA4HLMNAACE2
SCHEMBL6438290 0.81 ACE (0.65) ACELTA4HLMNAACE2
SCHEMBL6438293 0.81 ACE (0.65) ACELTA4HLMNAACE2
SCHEMBL6436563 0.81 ACE (0.65) ACELTA4HLMNAACE2

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-4670541-A Use of diamino alcohols as analgesic agents E. R. SQUIBB & SONS, INC. (US) 1987-06-02 — — US disclosed
US-4552866-A Use of diamino alcohols as analgesic agents E. R. SQUIBB & SONS, INC. (US) 1985-11-12 — — US disclosed
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