SCHEMBL10653271

SCHEMBL10653271

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 10/20 0.51
▸ REN P00797 4/20 0.51
▸ LMNA P02545 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ F2 P00734 1/20 0.51
▸ LTA4H P09960 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ PEPD P12955 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ PTGS1 P23219 1/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ PTGS2 P35354 1/20 0.51
▸ HRH1 P35367 1/20 0.51
▸ THPO P40225 1/20 0.51
▸ PMP22 Q01453 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ ACE2 Q9BYF1 1/20 0.51
▸ POLB P06746 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ XPNPEP2 O43895 1/20 0.44

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
SCHEMBL10653264 1.00 ACE (0.51) ACERENLMNAKDM4EF2
SCHEMBL10402349 0.95 ACE (0.56) ACERENLMNAKDM4EF2
SCHEMBL10402340 0.94 ACE (0.55) ACERENLMNAKDM4EF2
Potassium SCHEMBL10402343 0.94 ACE (0.55) ACERENLMNAKDM4EF2
SCHEMBL10656580 0.84 ACE (0.57) ACELMNALTA4HACE2POLB
SCHEMBL10719620 0.82 ACE (0.57) ACERENLMNAKDM4EF2
Potassium Ion SCHEMBL10402342 0.82 CA12 (0.41) ACERENLMNAKDM4EF2
SCHEMBL10658127 0.81 ACE (0.56) ACERENLMNAKDM4EF2
SCHEMBL10719635 0.81 ACE (0.46) ACERENLMNAKDM4EF2
SCHEMBL10658304 0.80 ACE (0.52) ACELMNALTA4HACE2POLB

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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