SCHEMBL2780211

SCHEMBL2780211

CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)O)c(COCC)c1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.72
EDNRA P25101 4/20 0.72
AGTR2 P50052 2/20 0.55
LTB4R2 Q9NPC1 3/20 0.54
ACHE P22303 5/20 0.54
ABCC3 O15438 1/20 0.50
ABCC4 O15439 1/20 0.50
ABCB11 O95342 1/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
GAA P10253 1/20 0.50
MAPK1 P28482 1/20 0.50
HTR2B P41595 1/20 0.50
PDE3A Q14432 1/20 0.50
SLC10A1 Q14973 1/20 0.50

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
SCHEMBL30844570 0.92 AGTR1 (0.72) AGTR1EDNRAAGTR2LTB4R2ACHE
SCHEMBL2779288 0.92 AGTR1 (0.72) AGTR1EDNRAAGTR2LTB4R2ACHE
SCHEMBL25084308 0.91 AGTR1 (0.77) AGTR1EDNRAAGTR2LTB4R2ACHE
SCHEMBL27418021 0.90 AGTR1 (0.73) AGTR1EDNRAAGTR2LTB4R2ACHE
SCHEMBL27425080 0.89 AGTR1 (0.74) AGTR1EDNRAAGTR2LTB4R2ACHE
SCHEMBL21755938 0.88 AGTR1 (0.68) AGTR1EDNRAAGTR2LTB4R2ACHE
SCHEMBL27418080 0.88 AGTR1 (0.70) AGTR1EDNRAAGTR2LTB4R2ACHE
SCHEMBL27418603 0.88 AGTR1 (0.70) AGTR1EDNRAAGTR2LTB4R2ACHE
SCHEMBL27420915 0.88 AGTR2 (0.74) AGTR1EDNRAAGTR2LTB4R2ACHE
SCHEMBL25084203 0.87 AGTR1 (0.70) AGTR1EDNRAAGTR2LTB4R2ACHE

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
WO-2010135350-A2 BIPHENYL INTERMEDIATE COMPOUNDS AND METHODS FOR THE PREPARATION OF A DUAL ANGIOTENSIN II AND ENDOTHELIN A RECEPTOR ANTAGONIST PHARMACOPEIA, LLC (US) 2010-11-25 WO disclosed
WO-2010135350-A2 BIPHENYL INTERMEDIATE COMPOUNDS AND METHODS FOR THE PREPARATION OF A DUAL ANGIOTENSIN II AND ENDOTHELIN A RECEPTOR ANTAGONIST PHARMACOPEIA, LLC (US) 2010-11-25 WO disclosed