SCHEMBL465789

SCHEMBL465789

O=C(CC1CCCCN1)C(c1ccccc1)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.46
CACNA1B Q00975 1/20 0.46
CACNB1 Q02641 1/20 0.46
POLB P06746 1/20 0.43
SLC6A3 Q01959 5/20 0.43
SLC6A2 P23975 4/20 0.43
SLC6A4 P31645 3/20 0.43
LTA4H P09960 1/20 0.42
CYP2D6 P10635 1/20 0.41
CHRM3 P20309 1/20 0.41

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
SCHEMBL11806394 0.92 CACNA2D1 (0.51) CACNA2D1CACNA1BCACNB1POLBSLC6A3
SCHEMBL465948 0.91 CACNA2D1 (0.50) CACNA2D1CACNA1BCACNB1POLBSLC6A3
SCHEMBL678328 0.88 SLC6A3 (0.47) CACNA2D1CACNA1BCACNB1POLBSLC6A3
SCHEMBL11455787 0.72 LTA4H (0.51) POLBSLC6A4LTA4H
SCHEMBL8493732 0.72 POLB (0.59) CACNA2D1CACNA1BCACNB1POLBSLC6A3
SCHEMBL18192367 0.72 CACNA2D1 (0.52) CACNA2D1CACNA1BCACNB1POLBSLC6A3
SCHEMBL7860033 0.71 POLB (0.54) CACNA2D1CACNA1BCACNB1POLBLTA4H
SCHEMBL10679403 0.71 CYP2D6 (0.62) CACNA2D1CACNA1BCACNB1POLBSLC6A3
SCHEMBL6196148 0.71 CHRM3 (0.52) CACNA2D1CACNA1BCACNB1POLBLTA4H
SCHEMBL5192841 0.69 RAB9A (0.65) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110268692-A1 Synergistic rodenticidal compositions BAYER CROPSCIENCE AG (DE) 2011-11-03 US disclosed
EP-2343972-A1 SYNERGISTIC RODENTICIDAL AGENT Bayer CropScience AG (DE) 2011-07-20 EP disclosed
US-20100287815-A1 METHOD FOR CONTROLLING HARMFUL RODENTS IN AGRICULTURAL ENTERPRISES BAYER CROPSCIENCE AG (DE) 2010-11-18 US disclosed
WO-2010043322-A1 SYNERGISTIC RODENTICIDAL AGENT BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-04-22 WO disclosed
EP-1389039-B1 METHOD FOR CONTROLLING HARMFUL RODENTS IN AGRICULTURAL ENTERPRISES BAYER CROPSCIENCE AG (DE) 2008-11-12 EP disclosed
US-7008632-B2 Combination of biological and chemical agents to combat rodents BAYER AKTIENGESELLSCHAFT (DE) 2006-03-07 US disclosed
US-20050181003-A1 Rodenticidal bait systems BAYER CROPSCIENCE AG (DE) 2005-08-18 US disclosed
US-20040247638-A1 Method for controlling harmful rodents in agricultural enterprises BAYER CROPSCIENCE AG (DE) 2004-12-09 US disclosed
US-20040028713-A1 Combination of biological and chemical agents to combat rodents JAKEL, THOMAS, DR. (DE) 2004-02-12 US disclosed
EP-1251740-A2 COMBINATION OF BIOLOGICAL AND CHEMICAL AGENTS TO COMBAT RODENTS Bayer Aktiengesellschaft (DE) 2002-10-30 EP disclosed
WO-2001052654-A2 COMBINATION OF BIOLOGICAL AND CHEMICAL AGENTS TO COMBAT RODENTS BAYER AKTIENGESELLSCHAFT (DE) 2001-07-26 WO disclosed
EP-0719498-B1 Rodenticidal foams BAYER AG (DE) 1999-05-26 EP disclosed
EP-0789998-B1 Rodenticidal foams BAYER AG (DE) 1998-05-06 EP disclosed
EP-0789998-A1 Rodenticidal foams BAYER AG (DE) 1997-08-20 EP disclosed
EP-0719498-A1 Rodenticidal foams BAYER AG (DE) 1996-07-03 EP disclosed
US-4011332-A RODENTICIDE BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DT) 1977-03-08 US disclosed