SCHEMBL10375013

SCHEMBL10375013

[CH2]Oc1cc(CN(C)C)ccn1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 5/20 0.47
LOX P28300 3/20 0.47
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HRH3 Q9Y5N1 3/20 0.36
HTR7 P34969 3/20 0.35
PARP1 P09874 1/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 1/20 0.33

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
SCHEMBL10375014 0.84 LOXL2 (0.62) LOXL2LOXCHRNB2CHRNA4ALDH1A1
SCHEMBL15015273 0.82 LOXL2 (0.43) LOXL2LOXCHRNB2CHRNA4ALDH1A1
SCHEMBL9839837 0.81 LOXL2 (0.40) LOXL2LOXCHRNB2CHRNA4ALDH1A1
SCHEMBL10674128 0.77 LOXL2 (0.46) LOXL2LOXCHRNB2CHRNA4HRH3
SCHEMBL12949354 0.73 LOX (0.68) LOXL2LOXHRH3
SCHEMBL8920977 0.73 LOXL2 (0.43) LOXL2LOXCHRNB2CHRNA4ALDH1A1
SCHEMBL8920968 0.73 LOXL2 (0.43) LOXL2LOXCHRNB2CHRNA4ALDH1A1
SCHEMBL14613356 0.73 UHRF1 (0.46) CHRNB2CHRNA4ALDH1A1TSHRLMNA
SCHEMBL23365986 0.72 TYMS (0.45) CHRNB2CHRNA4ALDH1A1TSHRLMNA
SCHEMBL3189367 0.72 NOS1 (0.62) CHRNB2CHRNA4ALDH1A1TSHRHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0117345-B1 AMINOPYRIMIDINONES AS HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-02-28 EP claimed
EP-0117345-A2 Aminopyrimidinones as histamine H2-antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-09-05 EP claimed
EP-0117345-B1 AMINOPYRIMIDINONES AS HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-02-28 EP disclosed
US-4567176-A HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-01-28 US disclosed
US-4540699-A N-Substituted pyridinones having histamine H2 -antagonist activity SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-09-10 US disclosed
EP-0132914-A2 Imidazolinone derivatives as histamine H2-antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-02-13 EP disclosed
EP-0117345-A2 Aminopyrimidinones as histamine H2-antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-09-05 EP disclosed