SCHEMBL9839837

SCHEMBL9839837

[CH2]CCOc1cc(CN(C)C)ccn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 4/20 0.40
LOX P28300 3/20 0.40
HRH3 Q9Y5N1 3/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
NOS1 P29475 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
NOS2 P35228 1/20 0.33
ELOVL1 Q9BW60 1/20 0.33
HTR7 P34969 2/20 0.33
MGMT P16455 1/20 0.32
PARP1 P09874 1/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL10674128 0.83 LOXL2 (0.46) LOXL2LOXHRH3CHRNB2CHRNA4
SCHEMBL10375013 0.81 LOXL2 (0.47) LOXL2LOXHRH3CHRNB2CHRNA4
SCHEMBL10375014 0.80 LOXL2 (0.62) LOXL2LOXHRH3CHRNB2CHRNA4
SCHEMBL15015273 0.78 LOXL2 (0.43) LOXL2LOXHRH3CHRNB2CHRNA4
SCHEMBL10990098 0.77 HRH3 (0.36) LOXL2LOXHRH3CHRNB2CHRNA4
SCHEMBL8920968 0.73 LOXL2 (0.43) LOXL2LOXHRH3CHRNB2CHRNA4
SCHEMBL8920977 0.73 LOXL2 (0.43) LOXL2LOXHRH3CHRNB2CHRNA4
SCHEMBL15829859 0.72 NOS3 (0.44) LOXL2LOXHRH3CHRNB2CHRNA4
SCHEMBL3416236 0.72 NOS1 (0.51) HRH3CHRNB2CHRNA4NOS1ALDH1A1
SCHEMBL127990 0.71 LOXL2 (0.43) LOXL2LOXNOS1ALDH1A1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4571398-A Cytosine derivatives having histamine H2 -antagonist activity SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-02-18 US claimed
EP-0140466-A2 Pyrimidinone derivatives, process for their preparation, and their pharmaceutical use SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-05-08 EP claimed
EP-0180298-B1 PYRIMIDINE COMPOUNDS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-09-25 EP disclosed
EP-0134096-B1 AMINOPYRIMIDINONE DERIVATIVES AS HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-02-01 EP disclosed
US-4738969-A Substituted aminopyridones and aminoquinolones having histamine H2 -receptor blocking activity SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-04-19 US disclosed
US-4694008-A HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-09-15 US disclosed
US-4608380-A HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-08-26 US disclosed
EP-0180298-A2 Pyrimidine compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-05-07 EP disclosed
EP-0172968-A1 Aminothiadiazine derivatives as histamine H2-antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-03-05 EP disclosed
US-4571398-A Cytosine derivatives having histamine H2 -antagonist activity SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-02-18 US disclosed
EP-0143630-A2 Chemical compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-06-05 EP disclosed
EP-0140466-A2 Pyrimidinone derivatives, process for their preparation, and their pharmaceutical use SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-05-08 EP disclosed
EP-0134096-A2 Aminopyrimidinone derivatives as histamine H2-antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-03-13 EP disclosed