SCHEMBL10654654

SCHEMBL10654654

O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 15/20 0.73
▸ ACE2 Q9BYF1 10/20 0.73
▸ TSHR P16473 1/20 0.68

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
SCHEMBL10654686 1.00 ACE (0.73) ACEACE2TSHR
SCHEMBL10661168 0.99 ACE (0.72) ACEACE2TSHR
SCHEMBL10661171 0.91 ACE (0.61) ACEACE2TSHR
SCHEMBL10668559 0.88 ACE (0.68) ACEACE2TSHR
SCHEMBL7272049 0.85 ACE (0.74) ACEACE2
SCHEMBL9098688 0.85 ACE (0.74) ACEACE2
SCHEMBL16375206 0.85 TSHR (0.63) ACEACE2TSHR
SCHEMBL14906472 0.85 ACE (0.59) ACEACE2TSHR
SCHEMBL14906468 0.85 ACE (0.59) ACEACE2TSHR
SCHEMBL11122708 0.85 ACE (1.00) 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-4719200-A Amino acid derivatives and antihypertensive drugs containing the same AJINOMOTO CO., INC. (JP) 1988-01-12 — — US disclosed
EP-0173510-A2 Tripeptide derivatives for use as anti-hypertensive agents AJINOMOTO CO., INC. (JP) 1986-03-05 — — EP disclosed
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