SCHEMBL10375014

SCHEMBL10375014

COc1cc(CN(C)C)ccn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.62
LOX P28300 2/20 0.62
HTR7 P34969 4/20 0.42
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR1E P28566 1/20 0.39
HTR2B P41595 1/20 0.39
HTR3A P46098 1/20 0.39
HTR5A P47898 1/20 0.39
HTR6 P50406 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
FFAR1 O14842 1/20 0.38
LMNA P02545 1/20 0.36

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
SCHEMBL15015273 0.84 LOXL2 (0.43) LOXL2LOXHTR7CHRNB2CHRNA4
SCHEMBL10375013 0.84 LOXL2 (0.47) LOXL2LOXHTR7CHRNB2CHRNA4
SCHEMBL29975842 0.81 LOXL2 (0.67) LOXL2LOXFFAR1
SCHEMBL17342 0.81 LOXL2 (0.67) LOXL2LOXFFAR1
SCHEMBL9839837 0.80 LOXL2 (0.40) LOXL2LOXHTR7CHRNB2CHRNA4
Bromide SCHEMBL13858041 0.79 LOXL2 (0.65) LOXL2LOXFFAR1
SCHEMBL805488 0.79 LOXL2 (0.69) LOXL2LOXFFAR1
SCHEMBL10674128 0.78 LOXL2 (0.46) LOXL2LOXCHRNB2CHRNA4HRH3
SCHEMBL2787314 0.77 LOXL2 (0.53) LOXL2LOXTSHRFFAR1
SCHEMBL2224895 0.77 LOXL2 (0.67) LOXL2LOXFFAR1

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