SCHEMBL678931

SCHEMBL678931

CCC(c1ccccc1)(c1ccccc1)C(O)CN1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.46
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 3/20 0.45
CYP2D6 P10635 4/20 0.44
TSHR P16473 1/20 0.44
HIF1A Q16665 1/20 0.44
MAOB P27338 1/20 0.44
CHRM2 P08172 2/20 0.44
HTR1A P08908 2/20 0.44
CHRM1 P11229 2/20 0.44
OPRM1 P35372 2/20 0.44
KCNH2 Q12809 2/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP2B6 P20813 1/20 0.42
CHRM4 P08173 1/20 0.42

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
SCHEMBL465808 0.81 NPSR1 (0.52) KMT2AMEN1NPSR1KDM4ECYP2D6
SCHEMBL6198899 0.73 CYP2B6 (0.41) KDM4ECYP2D6CHRM2HTR1ACHRM1
SCHEMBL4889873 0.73 MEN1 (0.56) KMT2AMEN1NPSR1CYP2D6TSHR
SCHEMBL416118 0.73 GRIN1 (0.47) KMT2AMEN1CYP2D6HIF1AKCNH2
SCHEMBL10785266 0.72 CHRM2 (0.42) KMT2AMEN1POLBNPSR1CYP2D6
SCHEMBL4881797 0.72 MEN1 (0.58) KMT2AMEN1NPSR1KDM4ECYP2D6
SCHEMBL4890266 0.72 MEN1 (0.58) KMT2AMEN1NPSR1KDM4ECYP2D6
SCHEMBL3995853 0.72 KMT2A (0.45) KMT2AMEN1POLBNPSR1KDM4E
SCHEMBL7721796 0.71 NPSR1 (0.44) KMT2AMEN1POLBNPSR1KDM4E
SCHEMBL14003867 0.71 GAA (0.51) KMT2AMEN1POLBNPSR1KDM4E

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 20 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
CN-102176819-A Synergistic rodenticidal agent BAYER CROPSCIENCE AG 2011-09-07 CN disclosed
CN-101911931-A The bait system that kills mouse BAYER CROPSCIENCE AG 2010-12-15 CN disclosed
US-20100287815-A1 METHOD FOR CONTROLLING HARMFUL RODENTS IN AGRICULTURAL ENTERPRISES BAYER CROPSCIENCE AG (DE) 2010-11-18 US disclosed
CN-100521944-C Combination of biological and chemical agents to combat rodents BAYER AG (DE) 2009-08-05 CN 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
CN-1665389-A Deratization bait system BAYER CROPSCIENCE AG (DE) 2005-09-07 CN 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
CN-1395468-A Biological and chemical combination control of rodents BAYER AG (DE) 2003-02-05 CN disclosed
WO-2002091827-A1 METHOD FOR CONTROLLING HARMFUL RODENTS IN AGRICULTURAL ENTERPRISES BAYER CROPSCIENCE AG (DE) 2002-11-21 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-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