SCHEMBL10656626

SCHEMBL10656626

C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 10/20 0.52
▸ DGAT1 O75907 2/20 0.51
▸ LMNA P02545 1/20 0.48
▸ EPHX2 P34913 1/20 0.47
▸ ITGB3 P05106 1/20 0.46
▸ ITGB1 P05556 1/20 0.46
▸ ITGAV P06756 1/20 0.46
▸ ITGA5 P08648 1/20 0.46
▸ ITGA4 P13612 1/20 0.46
▸ PREP P48147 1/20 0.46
▸ FAP Q12884 1/20 0.46
▸ ACE2 Q9BYF1 4/20 0.46
▸ THRB P10828 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL10653350 0.89 ACE (0.50) ACEDGAT1LMNAITGB3ITGB1
SCHEMBL10654808 0.84 ACE (0.66) ACEPREPFAPACE2
SCHEMBL11038008 0.84 ACE (0.53) ACELMNAITGB3ITGB1ITGAV
SCHEMBL18586364 0.84 ELANE (0.61) ACEDGAT1EPHX2ITGB3ITGB1
SCHEMBL20484667 0.84 ELANE (0.61) ACEDGAT1EPHX2ITGB3ITGB1
Arginine SCHEMBL10656209 0.83 ACE (0.44) ACEDGAT1LMNAACE2
SCHEMBL10655628 0.81 ACE (0.59) ACELMNAACE2
SCHEMBL3472243 0.81 ACE (0.60) ACELMNAITGB3ITGB1ITGAV
SCHEMBL10659600 0.80 ACE (0.62) ACELMNAACE2
SCHEMBL10654681 0.80 PREP (0.57) ACELMNAPREPFAPACE2

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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