SCHEMBL6781564

SCHEMBL6781564

CCC(c1ccccc1)(c1ccccc1)C(C#N)Oc1nc(OC)cc(OC)n1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 20/20 0.49
EDNRA P25101 20/20 0.49

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
SCHEMBL1065348 0.82 EDNRB (0.62) EDNRBEDNRA
SCHEMBL6776058 0.78 EDNRB (0.71) EDNRBEDNRA
SCHEMBL9295985 0.75 EDNRB (0.40) EDNRBEDNRA
SCHEMBL9368252 0.71 EDNRB (0.65) EDNRBEDNRA
SCHEMBL12228356 0.70 EDNRB (0.71) EDNRBEDNRA
SCHEMBL28225801 0.68 CYP2D6 (0.41)
SCHEMBL9369015 0.68 EDNRB (0.76) EDNRBEDNRA
SCHEMBL15999837 0.68 EDNRB (0.76) EDNRBEDNRA
SCHEMBL9238383 0.67 EDNRB (0.44) EDNRBEDNRA
SCHEMBL9236361 0.67 EDNRB (0.50) EDNRBEDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6686369-B1 α-hydrdroxylic acid derivatives, their production and use ABBOTT GMBH & CO., KG (DE) 2004-02-03 US disclosed
EP-0892787-B1 NOVEL ALPHA-HYDROXYLIC ACID DERIVATIVES, THEIR PRODUCTION AND USE ABBOTT GMBH & CO KG (DE) 2003-06-11 EP disclosed
EP-0892787-A1 NOVEL $g(a)-HYDROXYLIC ACID DERIVATIVES, THEIR PRODUCTION AND USE BASF AKTIENGESELLSCHAFT (DE) 1999-01-27 EP disclosed
WO-1997038981-A1 NOVEL α-HYDROXYLIC ACID DERIVATIVES, THEIR PRODUCTION AND USE BASF AKTIENGESELLSCHAFT (DE) 1997-10-23 WO disclosed