SCHEMBL679811

SCHEMBL679811

CSc1ccc(C(C(=O)CC2CCC(C)(C)N2)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CCR5 P51681 2/20 0.39
POLB P06746 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
HTT P42858 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32

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
SCHEMBL22443440 0.67 SLC6A4 (0.33)
SCHEMBL22443604 0.67 SLC6A4 (0.33)
SCHEMBL22443444 0.67 SLC6A4 (0.33)
SCHEMBL465862 0.67 HSD11B1 (0.39) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL22443443 0.67 SLC6A4 (0.33)
SCHEMBL11806394 0.67 CACNA2D1 (0.51) POLBALDH1A1LMNA
SCHEMBL465849 0.67 SMN1; SMN2 (0.46) MEN1KMT2AALDH1A1LMNANPC1
SCHEMBL678328 0.67 SLC6A3 (0.47) POLB
SCHEMBL465948 0.66 CACNA2D1 (0.50) POLBALDH1A1LMNA
SCHEMBL465789 0.64 CACNA2D1 (0.46) POLB

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 15 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
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-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