SCHEMBL678930

SCHEMBL678930

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 1/20 0.41
GHSR Q92847 6/20 0.41
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
LTA4H P09960 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37

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
SCHEMBL465807 0.81 POLB (0.48) CYP2D6KDM4ENPC1CYP1A2HPGD
SCHEMBL678496 0.74 KDM4E (0.41) CYP2D6KDM4ENPC1CYP1A2HPGD
SCHEMBL20832991 0.73 CYP2D6 (0.56) CYP2D6KDM4ECYP1A2POLBSLC6A2
SCHEMBL22259900 0.73 CYP2D6 (0.56) CYP2D6KDM4ECYP1A2POLBSLC6A2
SCHEMBL20833013 0.73 CYP2D6 (0.56) CYP2D6KDM4ECYP1A2POLBSLC6A2
SCHEMBL8507267 0.73 CYP2D6 (0.56) CYP2D6KDM4ECYP1A2POLBSLC6A2
SCHEMBL20832988 0.71 CYP2D6 (0.50) CYP2D6KDM4ENPC1CYP1A2HPGD
SCHEMBL22260033 0.71 CYP2D6 (0.50) CYP2D6KDM4ENPC1CYP1A2HPGD
SCHEMBL20344302 0.71 POLB (0.51) CYP2D6POLBCHRNB4CHRNA3LTA4H
SCHEMBL21461608 0.70 CYP2D6 (0.53) CYP2D6KDM4ENPC1CYP1A2HPGD

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 13 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-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-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
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