SCHEMBL11029537

SCHEMBL11029537

CCOC(=O)[C@H](CCCCNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)N[C@H](C)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 6/20 0.55
▸ LMNA P02545 2/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ CA1 P00915 3/20 0.45
▸ CA2 P00918 3/20 0.45
▸ ABCB11 O95342 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL11049931 0.92 ACE (0.51) ACECA1CA2
SCHEMBL11026152 0.92 ACE (0.51) ACECA1CA2
SCHEMBL11052803 0.88 ACE (0.56) ACELMNASMN1; SMN2ABCB11
SCHEMBL11050251 0.88 ACE (0.56) ACELMNASMN1; SMN2ABCB11
SCHEMBL11024516 0.86 ACE (0.58) ACELMNACA1CA2
Hydrochloric Acid SCHEMBL11030511 0.86 ACE (0.57) ACELMNACA1CA2
SCHEMBL11021929 0.84 CA1 (0.56) CA1CA2
SCHEMBL11021925 0.84 CA1 (0.56) CA1CA2
SCHEMBL11085040 0.83 LMNA (0.43) ACELMNASMN1; SMN2
SCHEMBL11050059 0.80 ACE (0.52) ACELMNASMN1; SMN2

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
EP-0088350-B1 CARBOXYALKYL DIPEPTIDES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1985-02-20 — — EP disclosed
US-4431644-A CARDIOVASCULAR DISORDERS; DIURETICS SCHERING CORPORATION (US) 1984-02-14 — — US disclosed
EP-0088350-A1 Carboxyalkyl dipeptides, processes for their production and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1983-09-14 — — EP disclosed
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