SCHEMBL8488705

SCHEMBL8488705

C[C@@H](C(=O)O)N(Cc1ccc2cc(-c3ccccc3-c3nnn[nH]3)ccc2c1)C(=O)C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.40
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 1/20 0.36
APAF1 O14727 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
ABCB11 O95342 1/20 0.34
GP6 Q9HCN6 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
NR1H4 Q96RI1 2/20 0.33
TRPV1 Q8NER1 2/20 0.33
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
KCNH2 Q12809 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
MGLL Q99685 1/20 0.32
ABL1 P00519 1/20 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
SCHEMBL8481923 0.97 AGTR1 (0.41) AGTR1NPSR1KDM4EAPAF1TSHR
SCHEMBL8487994 0.92 AGTR1 (0.41) AGTR1NPSR1KDM4EAPAF1TSHR
SCHEMBL8483027 0.90 AGTR1 (0.42) AGTR1NPSR1ABCB11GP6LTB4R2
SCHEMBL8482164 0.88 TSHR (0.35) AGTR1NPSR1KDM4EAPAF1TSHR
SCHEMBL8488106 0.87 AGTR1 (0.41) AGTR1ABCB11GP6LTB4R2TRPV1
SCHEMBL8483988 0.87 AGTR1 (0.43) AGTR1OPRM1OPRD1ABCB11GP6
SCHEMBL8486870 0.86 AGTR1 (0.49) AGTR1ABCB11GP6LTB4R2TRPV1
SCHEMBL8487111 0.85 AGTR1 (0.34) AGTR1NPSR1KDM4EAPAF1TSHR
SCHEMBL8487083 0.84 AGTR1 (0.53) AGTR1ABCB11GP6LTB4R2TRPV1
SCHEMBL8486568 0.83 AGTR1 (0.44) AGTR1HSD17B10ABCB11GP6LTB4R2

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