SCHEMBL465970

SCHEMBL465970

CSc1ccc(-c2ccccc2CC(=O)CC2CCC(C)(C)N2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
CTSK P43235 6/20 0.38
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
PTGS2 P35354 3/20 0.33
PTGS1 P23219 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
CCKAR P32238 1/20 0.32
CCKBR P32239 1/20 0.32
CCR5 P51681 1/20 0.32
CHRM1 P11229 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL679811 0.73 MEN1 (0.41) SIGMAR1DRD2DRD4CCR5
SCHEMBL9934396 0.67 FFAR1 (0.49) FFAR1FFAR4SLC6A2SLC6A4PTGS2
SCHEMBL5723308 0.67 FFAR1 (0.49) FFAR1FFAR4SLC6A2SLC6A4PTGS2
SCHEMBL6196148 0.66 CHRM3 (0.52) FFAR1FFAR4CHRM1
SCHEMBL8604577 0.64 FFAR1 (0.50) FFAR1FFAR4CTSKSLC6A2SLC6A4
SCHEMBL3437801 0.61 KMT2A (0.60) FFAR1FFAR4PTGS1
SCHEMBL22453954 0.60 ALDH1A1 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL22453457 0.60 ATM (0.38) SLC6A2SLC6A4DRD2SLC6A3
SCHEMBL27648049 0.60 PDCD1 (0.48) FFAR1FFAR4PTGS2PTGS1
SCHEMBL2432355 0.60 FFAR1 (0.48) FFAR1FFAR4SLC6A3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2343972-A1 SYNERGISTIC RODENTICIDAL AGENT Bayer CropScience AG (DE) 2011-07-20 EP disclosed
WO-2010043322-A1 SYNERGISTIC RODENTICIDAL AGENT BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-04-22 WO disclosed
EP-1505872-A1 RODENTICIDAL BAIT SYSTEM Bayer CropScience Aktiengesellschaft (DE) 2005-02-16 EP disclosed
WO-2003094612-A1 RODENTICIDAL BAIT SYSTEM BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-11-20 WO disclosed
EP-0784427-A1 RODENTICIDAL BAIT SYSTEMS BAYER AG (DE) 1997-07-23 EP disclosed
WO-1996009758-A1 RODENTICIDAL BAIT SYSTEMS BAYER AKTIENGESELLSCHAFT (DE) 1996-04-04 WO disclosed