SCHEMBL8813693

SCHEMBL8813693

CCOC(=O)N(Cc1ccc2cc(-c3ccccc3-c3nnn[nH]3)ccc2c1)CC1(OC(=O)O)CCCC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.32
AGTR2 P50052 3/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
OPRM1 P35372 1/20 0.30

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
SCHEMBL8811459 0.99 AGTR1 (0.32) AGTR1AGTR2CCNCCDK8MEN1
SCHEMBL8812419 0.92 OPRM1 (0.34) AGTR1OPRM1
SCHEMBL8811399 0.91 FFAR4 (0.33)
SCHEMBL8811670 0.91 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL8809889 0.90 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL8489272 0.89 MEN1 (0.33) AGTR1AGTR2CCNCCDK8MEN1
SCHEMBL8808317 0.89
SCHEMBL8812951 0.89 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9564272 0.89 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL8486836 0.89 AGTR1 (0.33) AGTR1AGTR2CCNCCDK8MEN1

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-0528762-B1 N-acyl-N-heterocyclyl- or naphthyl-alkyl amino acids as angiotensin II antagonists CIBA GEIGY AG (CH) 1997-05-07 EP disclosed
EP-0528762-A1 N-acyl-N-heterocyclyl- or naphthyl-alkyl amino acids as angiotensin II antagonists CIBA-GEIGY AG (CH) 1993-02-24 EP disclosed