SCHEMBL10970883

SCHEMBL10970883

CC(=O)SCCC(=O)N1[C@@H](c2ccccc2O)SC[C@H]1C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 8/20 0.56
▸ KMT2A Q03164 1/20 0.43
▸ FFAR2 O15552 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ CHRM3 P20309 1/20 0.35

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
SCHEMBL10968295 0.88 ACE (0.71) ACEKMT2AFFAR2
SCHEMBL10968013 0.78 ACE (0.54) ACEKMT2AFFAR2
SCHEMBL11066115 0.78 ACE (0.71) ACEKMT2AFFAR2
SCHEMBL10938815 0.78 ACE (0.71) ACEKMT2AFFAR2
SCHEMBL29888703 0.78 ACE (0.73) ACEKMT2AFFAR2
SCHEMBL11185062 0.78 ACE (0.77) ACEKMT2AFFAR2
SCHEMBL10969779 0.78 ACE (0.77) ACEKMT2AFFAR2
SCHEMBL10979196 0.78 ACE (0.77) ACEKMT2AFFAR2
SCHEMBL11096475 0.78 ACE (0.67) ACEKMT2AFFAR2
SCHEMBL11195371 0.76 ACE (0.73) ACEKMT2AFFAR2

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
EP-0048763-B1 SULFUR-CONTAINING ACYLAMINO ACIDS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1985-11-06 — — EP disclosed
US-4425333-A HYPOTENSIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1984-01-10 — — US disclosed
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