SCHEMBL4055490

SCHEMBL4055490

O=c1ccc(-c2ccc(OCCCC3CCNC3)cc2)n[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.56
KCNH2 Q12809 2/20 0.54
CHRM2 P08172 1/20 0.54
SLC6A2 P23975 1/20 0.54
ADRA1A P35348 1/20 0.54
HTR3A P46098 1/20 0.54
SLC6A3 Q01959 1/20 0.54
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
MAPT P10636 1/20 0.40
CYP1A2 P05177 2/20 0.40
PDE3A Q14432 2/20 0.39
PDE3B Q13370 1/20 0.39
PDE4B Q07343 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL4057147 0.93 HRH3 (0.56) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL4065947 0.81 HRH3 (0.56) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL4060210 0.77 HRH3 (0.45) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL4061241 0.77 HRH3 (0.48) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL4057615 0.77 HRH3 (0.59) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL4056596 0.77 PDE4A (0.56) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL3604079 0.76 HRH3 (0.66) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL10196775 0.76 HRH3 (0.66) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL4057462 0.75 HTR3A (0.59) HRH3KCNH2HTR3A
SCHEMBL1372237 0.74 HRH3 (0.57) 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