SCHEMBL4381895

SCHEMBL4381895

C[As](CCCOc1ccc(-c2ccc(=O)[nH]n2)cc1)C1CCC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.60
KCNH2 Q12809 3/20 0.60
CHRM2 P08172 1/20 0.60
SLC6A2 P23975 1/20 0.60
ADRA1A P35348 1/20 0.60
HTR3A P46098 1/20 0.60
SLC6A3 Q01959 1/20 0.60
LMNA P02545 2/20 0.50
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL1372235 0.80 HRH3 (0.60) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL10196775 0.79 HRH3 (0.66) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL1375147 0.79 HRH3 (0.59) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL1372237 0.79 HRH3 (0.57) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL1375151 0.76 HRH3 (0.57) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL10963711 0.76 LMNA (0.65) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL3604079 0.76 HRH3 (0.66) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL9815940 0.75 MAPT (0.64) HRH3KCNH2CHRM2SLC6A2ADRA1A
Irdabisant SCHEMBL1376185 0.75 HRH3 (1.00) HRH3KCNH2CHRM2SLC6A2ADRA1A
Irdabisant SCHEMBL117723 0.75 HRH3 (1.00) HRH3KCNH2CHRM2SLC6A2ADRA1A

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-2069312-A2 PYRIDIZINONE DERIVATIVES Cephalon, Inc. (US) 2009-06-17 EP disclosed
WO-2008013838-A2 PYRIDIZINONE DERIVATIVES CEPHALON, INC. (US) 2008-01-31 WO disclosed