SCHEMBL4563649

SCHEMBL4563649

Cn1cc(OC(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)c(C(F)(F)Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 18/20 0.45
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
NTRK1 P04629 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL3035362 0.92 CHRM3 (0.46) CHRM3CHRM2CHRM1NTRK1NPC1
SCHEMBL1538160 0.87 CHRM3 (0.40) CHRM3NTRK1NPC1
SCHEMBL1128031 0.86 CHRM3 (0.40) CHRM3CHRM2CHRM1NTRK1NPC1
SCHEMBL5341146 0.86 CHRM3 (0.47) CHRM3CHRM2CHRM1NPC1
SCHEMBL4685382 0.85 CHRM3 (0.47) CHRM3NTRK1NPC1
SCHEMBL1683009 0.85 CHRM3 (0.41) CHRM3NTRK1NPC1
SCHEMBL5276665 0.84 CHRM3 (0.46) CHRM3NPC1
SCHEMBL3034363 0.83 CHRM3 (0.47) CHRM3NTRK1NPC1
SCHEMBL1086049 0.83 NTRK1 (0.45) CHRM3CHRM2CHRM1NTRK1
SCHEMBL4562971 0.83 CHRM3 (0.45) CHRM3CHRM2CHRM1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066177-B1 FUNGICIDAL MIXTURES OF 1-METHYLPYRAZOLE-4-YLCARBOXYLIC ACID ANILIDES AND AZOLOPYRIMIDINYLAMINES BASF SE (DE) 2014-12-24 EP claimed
EP-2066177-A2 FUNGICIDAL MIXTURES OF 1-METHYLPYRAZOLE-4-YLCARBOXYLIC ACID ANILIDES AND AZOLOPYRIMIDINYLAMINES BASF SE (DE) 2009-06-10 EP claimed
WO-2008087182-A2 FUNGICIDAL MIXTURES OF 1-METHYLPYRAZOLE-4-YLCARBOXYLIC ACID ANILIDES AND AZOLOPYRIMIDINYLAMINES BASF SE (DE) 2008-07-24 WO claimed
EP-1912503-A2 FUNGICIDAL MIXTURES CONTAINING SUBSTITUTED 1-METHYL PYRAZOL-4-YL CARBOXYLIC ACID ANILIDES BASF SE (DE) 2008-04-23 EP claimed
EP-1856055-A1 PYRAZOLE CARBOXYLIC ACID ANILIDES, METHOD FOR THE PRODUCTION THEREOF AND AGENTS CONTAINING THEM FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-11-21 EP claimed
WO-2007017416-A2 FUNGICIDAL MIXTURES CONTAINING SUBSTITUTED 1-METHYL PYRAZOL-4-YL CARBOXYLIC ACID ANILIDES BASF SE (DE) 2007-02-15 WO claimed
WO-2006087343-A1 PYRAZOLE CARBOXYLIC ACID ANILIDES, METHOD FOR THE PRODUCTION THEREOF AND AGENTS CONTAINING THEM FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2006-08-24 WO claimed
EP-2066177-B1 FUNGICIDAL MIXTURES OF 1-METHYLPYRAZOLE-4-YLCARBOXYLIC ACID ANILIDES AND AZOLOPYRIMIDINYLAMINES BASF SE (DE) 2014-12-24 EP disclosed
EP-2120553-B1 PRODUCTION OF SOLID SOLUTIONS OF PESTICIDES BY SHORT TERM SUPERHEATING AND RAPID DRYING BASF SE (DE) 2014-05-28 EP disclosed
EP-2120553-A2 PRODUCTION OF SOLID SOLUTIONS OF PESTICIDES BY SHORT TERM SUPERHEATING AND RAPID DRYING BASF SE (DE) 2009-11-25 EP disclosed
WO-2008065051-A2 PRODUCTION OF SOLID SOLUTIONS OF PESTICIDES BY SHORT TERM SUPERHEATING AND RAPID DRYING BASF SE (DE) 2008-06-05 WO disclosed