SCHEMBL8486308

SCHEMBL8486308

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 12/20 0.49
LTB4R2 Q9NPC1 2/20 0.49
ABCB11 O95342 1/20 0.49
GP6 Q9HCN6 1/20 0.49
TRPV1 Q8NER1 2/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
KCNH2 Q12809 1/20 0.34
MGLL Q99685 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33

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
SCHEMBL8485808 0.93 AGTR1 (0.54) AGTR1LTB4R2ABCB11GP6TRPV1
SCHEMBL8486870 0.92 AGTR1 (0.49) AGTR1LTB4R2ABCB11GP6TRPV1
SCHEMBL8806218 0.92 AGTR1 (0.61) AGTR1LTB4R2ABCB11GP6PTGDR2
SCHEMBL28455057 0.91 AGTR1 (0.58) AGTR1LTB4R2ABCB11GP6ALDH1A1
SCHEMBL8813643 0.91 AGTR1 (0.58) AGTR1LTB4R2ABCB11GP6PTGDR2
SCHEMBL8482053 0.91 ALDH1A1 (0.46) AGTR1LTB4R2ABCB11GP6TRPV1
SCHEMBL8482866 0.89 AGTR1 (0.44) AGTR1LTB4R2ABCB11GP6TRPV1
SCHEMBL8483027 0.89 AGTR1 (0.42) AGTR1LTB4R2ABCB11GP6TRPV1
SCHEMBL8489701 0.88 AGTR1 (0.43) AGTR1LTB4R2ABCB11GP6TRPV1
SCHEMBL8484301 0.88 AGTR1 (0.44) AGTR1LTB4R2ABCB11GP6TRPV1

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