SCHEMBL4057147

SCHEMBL4057147

O=c1ccc(-c2ccc(OCCCC3CCCNC3)cc2)n[nH]1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.56
KCNH2 Q12809 2/20 0.55
CHRM2 P08172 1/20 0.55
SLC6A2 P23975 1/20 0.55
ADRA1A P35348 1/20 0.55
HTR3A P46098 1/20 0.55
SLC6A3 Q01959 1/20 0.55
LMNA P02545 2/20 0.45
ACP1 P24666 2/20 0.42
NPY1R P25929 5/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4055490 0.93 HRH3 (0.56) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL4065947 0.87 HRH3 (0.56) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL4061241 0.84 HRH3 (0.48) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL4060210 0.84 HRH3 (0.45) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL4057615 0.83 HRH3 (0.59) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL4056596 0.83 PDE4A (0.56) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL4057462 0.81 HTR3A (0.59) HRH3KCNH2HTR3AACP1NPY1R
SCHEMBL4054814 0.80 HRH3 (0.58) HRH3KCNH2
SCHEMBL3407020 0.79 NPY1R (0.44) ACP1NPY1R
SCHEMBL4064118 0.79 HTR3A (0.58) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

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