SCHEMBL8489701

SCHEMBL8489701

CC(C)[C@@H](C(=O)O)N(Cc1ccc2cc(-c3ccccc3-c3nnn[nH]3)ccc2c1)C(=O)OC1CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 12/20 0.43
ABCB11 O95342 1/20 0.43
GP6 Q9HCN6 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
FFAR4 Q5NUL3 2/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
PPARG P37231 1/20 0.32
SLC6A2 P23975 3/20 0.32
SLC6A4 P31645 3/20 0.32
KCNH2 Q12809 2/20 0.32
SLC6A3 Q01959 2/20 0.32

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
SCHEMBL8488106 0.92 AGTR1 (0.41) AGTR1ABCB11GP6LTB4R2FFAR4
SCHEMBL8482053 0.90 ALDH1A1 (0.46) AGTR1ABCB11GP6LTB4R2FFAR4
SCHEMBL8482866 0.89 AGTR1 (0.44) AGTR1ABCB11GP6LTB4R2TRPV1
SCHEMBL8483027 0.89 AGTR1 (0.42) AGTR1ABCB11GP6LTB4R2FFAR4
SCHEMBL8488010 0.88 AGTR1 (0.36) AGTR1ABCB11GP6LTB4R2ALDH1A1
SCHEMBL8486308 0.88 AGTR1 (0.49) AGTR1ABCB11GP6LTB4R2ALDH1A1
SCHEMBL8484301 0.87 AGTR1 (0.44) AGTR1ABCB11GP6LTB4R2FFAR4
SCHEMBL8487994 0.87 AGTR1 (0.41) AGTR1ABCB11GP6LTB4R2FFAR4
SCHEMBL8485808 0.86 AGTR1 (0.54) AGTR1ABCB11GP6LTB4R2TRPV1
SCHEMBL8806218 0.85 AGTR1 (0.61) AGTR1ABCB11GP6LTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5955487-A TREATING HIGH BLOOD PRESSURE, CARDIAC INSUFFICIENCY, GLAUCOMA CIBA-GEIGY CORPORATION (US) 1999-09-21 US disclosed
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
US-5620998-A CARDIOVASCULAR DISORDERS; HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-04-15 US disclosed
US-5506240-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1996-04-09 US 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