SCHEMBL465948

SCHEMBL465948

O=C(CC1CCCCCN1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.50
CACNA1B Q00975 1/20 0.50
CACNB1 Q02641 1/20 0.50
POLB P06746 1/20 0.49
SLC6A3 Q01959 8/20 0.48
SLC6A2 P23975 6/20 0.48
SLC6A4 P31645 4/20 0.48
DHFR P00374 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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 0.99 CACNA2D1 (0.51) CACNA2D1CACNA1BCACNB1POLBSLC6A3
SCHEMBL465789 0.91 CACNA2D1 (0.46) CACNA2D1CACNA1BCACNB1POLBSLC6A3
SCHEMBL678328 0.91 SLC6A3 (0.47) CACNA2D1CACNA1BCACNB1POLBSLC6A3
SCHEMBL8493732 0.77 POLB (0.59) CACNA2D1CACNA1BCACNB1POLBSLC6A3
SCHEMBL18192367 0.77 CACNA2D1 (0.52) CACNA2D1CACNA1BCACNB1POLBSLC6A3
SCHEMBL7860033 0.76 POLB (0.54) CACNA2D1CACNA1BCACNB1POLBALDH1A1
SCHEMBL10679403 0.76 CYP2D6 (0.62) CACNA2D1CACNA1BCACNB1POLBSLC6A3
SCHEMBL465953 0.75 POLB (0.50) CACNA2D1CACNA1BCACNB1POLBSLC6A3
SCHEMBL11629768 0.74 POLB (0.56) CACNA2D1CACNA1BCACNB1POLB
SCHEMBL10681797 0.73 POLB (0.54) CACNA2D1CACNA1BCACNB1POLBSLC6A3

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 21 patents — showing the first 20. 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
EP-1505872-A1 RODENTICIDAL BAIT SYSTEM Bayer CropScience Aktiengesellschaft (DE) 2005-02-16 EP 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
US-6036970-A POISONS FOR ANIMALS SUCH AS RODENTS BAYER AKTIENGESELLSCHAFT (DE) 2000-03-14 US 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-0784427-A1 RODENTICIDAL BAIT SYSTEMS BAYER AG (DE) 1997-07-23 EP disclosed
EP-0719498-A1 Rodenticidal foams BAYER AG (DE) 1996-07-03 EP disclosed
WO-1996009758-A1 RODENTICIDAL BAIT SYSTEMS BAYER AKTIENGESELLSCHAFT (DE) 1996-04-04 WO disclosed
US-4011332-A RODENTICIDE BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DT) 1977-03-08 US disclosed