SCHEMBL8095562

SCHEMBL8095562

CCc1ccccc1[C]1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41
MGLL Q99685 1/20 0.38
TRPA1 O75762 1/20 0.38
LMNA P02545 3/20 0.37
ALOX5 P09917 1/20 0.37
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSB P07858 1/20 0.36
PDK2 Q15119 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
SCHEMBL198461 0.82 CSNK2A2 (0.52) CYP2D6GABRA1GABRB2CSNK2A2CSNK2B
SCHEMBL11382359 0.79 CSNK2A2 (0.50) CYP2D6GABRA1GABRB2CSNK2A2CSNK2B
SCHEMBL2776956 0.79 CSNK2A2 (0.50) CYP2D6GABRA1GABRB2CSNK2A2CSNK2B
Ethane SCHEMBL3687850 0.79 CSNK2A2 (0.50) CYP2D6GABRA1GABRB2CSNK2A2CSNK2B
SCHEMBL20786839 0.74 CSNK2A2 (0.43) CYP2D6GABRA1GABRB2CSNK2A2CSNK2B
SCHEMBL328862 0.73 DPP4 (0.60) CYP2D6GABRA1GABRB2TRPA1ALDH1A1
SCHEMBL1133085 0.73 PDK2 (0.49) CYP2D6GABRA1GABRB2CSNK2A2CSNK2B
SCHEMBL31261742 0.73 DPP4 (0.60) CYP2D6GABRA1GABRB2TRPA1ALDH1A1
SCHEMBL25425763 0.73 GABRA1 (0.58) CYP2D6GABRA1GABRB2MGLLLMNA
SCHEMBL36294 0.73 GABRA1 (0.58) CYP2D6GABRA1GABRB2MGLLLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3370524-A1 SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2018-09-12 EP disclosed
WO-2017076742-A1 SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2017-05-11 WO disclosed
EP-1051394-A1 POTASSIUM CHANNEL INHIBITORS Icagen, Inc. (US) 2000-11-15 EP disclosed
WO-1999037607-A1 POTASSIUM CHANNEL INHIBITORS ICAGEN, INC. (US) 1999-07-29 WO disclosed