SCHEMBL678454

SCHEMBL678454

CCCCC(C(=O)CC1CCCCN1)(c1ccccc1)c1ccc(Cl)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 13/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 2/20 0.34
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
OPRM1 P35372 1/20 0.34
POLB P06746 1/20 0.33
HTR1A P08908 1/20 0.33
CYP2D6 P10635 1/20 0.33
HTR1D P28221 1/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
ADRA1B P35368 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL678496 0.74 KDM4E (0.41) GHSRDRD2DRD3OPRM1POLB
SCHEMBL465843 0.70 POLB (0.48) SLC6A2SLC6A4SLC6A3POLBCYP2D6
SCHEMBL6053465 0.69 POLB (0.47) SLC6A2SLC6A4SLC6A3POLBCYP2D6
SCHEMBL8880729 0.66 KMT2A (0.47) POLBHTR1ACYP2D6HTR1DHTR2A
Hydrochloric Acid SCHEMBL8879883 0.65 KMT2A (0.49) POLBHTR1ACYP2D6HTR1DHTR2A
SCHEMBL11450141 0.65 TDP1 (0.44) POLBCYP2D6
Pifenate SCHEMBL2730331 0.64 SLC6A3 (0.49) GHSRSLC6A2SLC6A4SLC6A3POLB
SCHEMBL5194007 0.63 ERCC1 (0.49)
SCHEMBL2984162 0.62 CHRM3 (0.56) DRD2DRD3OPRM1CYP2D6KCNH2
SCHEMBL23886330 0.61 GHSR (0.43) GHSR

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 18 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
US-20100287815-A1 METHOD FOR CONTROLLING HARMFUL RODENTS IN AGRICULTURAL ENTERPRISES BAYER CROPSCIENCE AG (DE) 2010-11-18 US 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
EP-1389039-A1 METHOD FOR CONTROLLING HARMFUL RODENTS IN AGRICULTURAL ENTERPRISES Bayer CropScience AG (DE) 2004-02-18 EP disclosed
US-20040028713-A1 Combination of biological and chemical agents to combat rodents JAKEL, THOMAS, DR. (DE) 2004-02-12 US disclosed
WO-2002091827-A1 METHOD FOR CONTROLLING HARMFUL RODENTS IN AGRICULTURAL ENTERPRISES BAYER CROPSCIENCE AG (DE) 2002-11-21 WO 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-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