SCHEMBL465822

SCHEMBL465822

CC(C)c1ccc(-c2ccccc2CC(=O)CC2CC(C(C)(C)C)CCN2)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.36
CHRM3 P20309 2/20 0.36
SLC6A2 P23975 9/20 0.34
SLC6A4 P31645 9/20 0.34
SLC6A3 Q01959 6/20 0.34
KCNH2 Q12809 3/20 0.34
CYP2D6 P10635 3/20 0.34
EP300 Q09472 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
KCNA5 P22460 2/20 0.30
BRD4 O60885 1/20 0.30
CREBBP Q92793 1/20 0.30

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
SCHEMBL679883 0.77 ALPL (0.34) SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL6197176 0.76 POLB (0.38) MEN1MAPTKMT2A
SCHEMBL6196148 0.69 CHRM3 (0.52) CHRM1CHRM3KMT2A
SCHEMBL4432416 0.63 KMT2A (0.47) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL465970 0.62 FFAR1 (0.39) CHRM1SLC6A2SLC6A4SLC6A3DRD2
SCHEMBL15925041 0.62 AGL (0.33)
SCHEMBL465966 0.61 RARB (0.46) SLC6A2SLC6A3KCNH2CYP2D6DRD4
SCHEMBL4436622 0.59 MAPT (0.42) SLC6A2SLC6A4SLC6A3KCNH2DRD2
SCHEMBL3437801 0.58 KMT2A (0.60) LMNAKMT2A
SCHEMBL20819869 0.58 SLC6A3 (0.40) SLC6A2SLC6A4SLC6A3LMNA

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 2 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