SCHEMBL7434890

SCHEMBL7434890

CCOC(=O)[C@@H](N[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C(=O)O)C1Cc2ccccc2C1

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.54

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
SCHEMBL7439861 1.00 ACE (0.54) ACE
SCHEMBL5175052 0.85 ACE (0.63) ACE
Hydrochloric Acid SCHEMBL7439988 0.84 ACE (0.70) ACE
SCHEMBL11049962 0.82 ACE (0.73) ACE
SCHEMBL11049974 0.82 ACE (0.73) ACE
SCHEMBL11035895 0.82 ACE (0.73) ACE
SCHEMBL11050522 0.82 ACE (0.73) ACE
SCHEMBL11050512 0.82 ACE (0.73) ACE
SCHEMBL7433990 0.81 ACE (0.66) ACE
Hydrochloric Acid SCHEMBL7430196 0.80 ACE (0.65) ACE

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-0104546-A2 Therapeutic dipeptides USV PHARMACEUTICAL CORPORATION (US) 1984-04-04 EP claimed
US-4500713-A TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID DERIVATIVE AS ANTIHYPERTENSIVE AGENT USV PHARMACEUTICAL CORPORATION (US) 1985-02-19 US disclosed
EP-0104546-A2 Therapeutic dipeptides USV PHARMACEUTICAL CORPORATION (US) 1984-04-04 EP disclosed