SCHEMBL10403636

SCHEMBL10403636

O=C(O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 5/20 0.57
▸ F10 P00742 2/20 0.56
▸ PLG P00747 2/20 0.56
▸ ST14 Q9Y5Y6 2/20 0.56
▸ F2 P00734 1/20 0.56
▸ PLAU P00749 1/20 0.56
▸ ACE P12821 6/20 0.55
▸ ACE2 Q9BYF1 4/20 0.55
▸ MMP2 P08253 4/20 0.53
▸ MMP9 P14780 3/20 0.53
▸ ADAMTS4 O75173 1/20 0.53

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
SCHEMBL8654561 0.89 F2 (0.59) F10PLGST14F2PLAU
SCHEMBL8654566 0.89 F2 (0.59) F10PLGST14F2PLAU
SCHEMBL10402436 0.89 POLB (0.49) LTA4HF10PLGST14F2
SCHEMBL8655052 0.89 LTA4H (0.59) LTA4HACEACE2
SCHEMBL8655055 0.89 LTA4H (0.59) LTA4HACEACE2
SCHEMBL10404568 0.88 ACE (0.53) F10PLGST14F2PLAU
SCHEMBL6438372 0.88 ACE (0.58) LTA4HACEACE2
SCHEMBL6438368 0.88 ACE (0.58) LTA4HACEACE2
SCHEMBL8378226 0.88 ACE (0.58) LTA4HACEACE2
SCHEMBL15251747 0.86 MEN1 (0.52) LTA4HACEACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4971993-A HYPOTENSIVE DIPEPTIDES DERIVATIVES AJINOMOTO CO., INC. (JP) 1990-11-20 — — US claimed
US-4971993-A HYPOTENSIVE DIPEPTIDES DERIVATIVES AJINOMOTO CO., INC. (JP) 1990-11-20 — — US disclosed
EP-0190852-A2 Dipeptide derivatives and antihypertensive drugs containing them AJINOMOTO CO., INC. (JP) 1986-08-13 — — EP disclosed
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