SCHEMBL678496

SCHEMBL678496

CCC(C(=O)CC1CCCN1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
GHSR Q92847 4/20 0.40
POLB P06746 1/20 0.40
KHK P50053 1/20 0.39
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
DRD2 P14416 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
CHRM3 P20309 2/20 0.37
LTA4H P09960 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 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
SCHEMBL465843 0.80 POLB (0.48) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL6053465 0.78 POLB (0.47) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL678930 0.74 CYP2D6 (0.42) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL678454 0.74 GHSR (0.35) CYP2D6GHSRPOLBDRD2OPRM1
SCHEMBL22312328 0.73 OPRM1 (0.54) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL11343167 0.72 KHK (0.52) KDM4EHPGDMAPK1GHSRPOLB
SCHEMBL8880729 0.72 KMT2A (0.47) KDM4ECYP1A2CYP2D6CYP2C19POLB
Pifenate SCHEMBL2730331 0.72 SLC6A3 (0.49) CYP1A2CYP2D6CYP2C19RAB9AGHSR
Hydrochloric Acid SCHEMBL8879883 0.71 KMT2A (0.49) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL20607354 0.70 OPRM1 (0.66) KDM4ECYP1A2CYP2D6CYP2C19RAB9A

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 17 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
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