SCHEMBL4064612

SCHEMBL4064612

O=c1ccc(-c2ccc(OC3CCN(C4(I)CCC4)C3)cc2)n[nH]1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.61
KCNH2 Q12809 5/20 0.61
CHRM2 P08172 1/20 0.44
SLC6A2 P23975 1/20 0.44
ADRA1A P35348 1/20 0.44
HTR3A P46098 1/20 0.44
SLC6A3 Q01959 1/20 0.44
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL16581677 0.78 HRH3 (0.87) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL1373340 0.78 HRH3 (0.87) HRH3KCNH2LMNA
SCHEMBL1373338 0.78 HRH3 (0.87) HRH3KCNH2LMNA
SCHEMBL1373136 0.78 HRH3 (0.85) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL1373139 0.78 HRH3 (0.85) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL1373058 0.76 HRH3 (1.00) HRH3KCNH2
SCHEMBL1373791 0.76 HRH3 (1.00) HRH3KCNH2
SCHEMBL11986387 0.65 HRH3 (0.79) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL3452908 0.65 LMNA (0.80) HRH3KCNH2LMNAMEN1KMT2A
SCHEMBL1376637 0.63 LMNA (1.00) HRH3KCNH2LMNAMEN1KMT2A

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 claimed
WO-2008013838-A2 PYRIDIZINONE DERIVATIVES CEPHALON, INC. (US) 2008-01-31 WO claimed