SCHEMBL7263953

SCHEMBL7263953

C[C@H](NP(=O)(Cc1ccccc1)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.57
▸ OPRM1 P35372 2/20 0.55
▸ ACE P12821 2/20 0.53
▸ CMA1 P23946 2/20 0.49
▸ OPRD1 P41143 1/20 0.49
▸ ACE2 Q9BYF1 1/20 0.49

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
SCHEMBL7264182 0.96 ACE (0.56) SLC6A2OPRM1ACECMA1ACE2
SCHEMBL7265461 0.91 LMNA (0.53) SLC6A2OPRM1ACECMA1OPRD1
SCHEMBL7263810 0.88 ACE (0.52) SLC6A2OPRM1ACECMA1OPRD1
SCHEMBL7273065 0.88 ACE (0.52) SLC6A2OPRM1ACECMA1ACE2
Arginine SCHEMBL7270487 0.87 SLC6A2 (0.53) SLC6A2OPRM1OPRD1
SCHEMBL7271793 0.86 ACE (0.56) ACECMA1ACE2
Arginine SCHEMBL7270505 0.83 SLC6A2 (0.48) SLC6A2OPRM1ACE
SCHEMBL7273277 0.82 ACE (0.47) OPRM1ACECMA1OPRD1ACE2
SCHEMBL7273272 0.82 PREP (0.50) ACEACE2
SCHEMBL7265589 0.82 PREP (0.50) 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 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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