SCHEMBL7263650

SCHEMBL7263650

O=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NP(=O)(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 13/20 0.54
▸ ACE2 Q9BYF1 8/20 0.54
▸ LTA4H P09960 3/20 0.53
▸ TSHR P16473 1/20 0.50

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
SCHEMBL7264272 0.89 ACE (0.52) ACETSHR
SCHEMBL7265471 0.87 ACE (0.48) ACEACE2LTA4H
SCHEMBL10929332 0.87 ACE (0.57) ACEACE2LTA4H
SCHEMBL7265475 0.87 ACE (0.57) ACEACE2LTA4H
SCHEMBL10829049 0.86 ACE (0.56) ACEACE2LTA4H
Ammonia Solution, Strong SCHEMBL10829250 0.86 ACE (0.56) ACEACE2LTA4H
SCHEMBL7265625 0.86 ACE (0.56) ACEACE2LTA4H
SCHEMBL10654686 0.84 ACE (0.73) ACEACE2TSHR
SCHEMBL10654654 0.84 ACE (0.73) ACEACE2TSHR
SCHEMBL10661168 0.83 ACE (0.72) ACEACE2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4590178-A DIURETICS AJINOMOTO COMPANY, INCORPORATED (JP) 1986-05-20 — — US disclosed
US-4536395-A DIPEPTIDES AJINOMOTO CO., INC. (JP) 1985-08-20 — — US disclosed
US-4472381-A Amino acid derivatives, methods of preparing said derivatives and antihypertensive drugs containing them AJINOMOTO COMPANY INCORPORATED (JP) 1984-09-18 — — US disclosed
EP-0085488-A2 Amino acid derivatives and antihypertensive drugs containing them AJINOMOTO CO., INC. (JP) 1983-08-10 — — EP disclosed
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