SCHEMBL10375950

SCHEMBL10375950

COc1cc(CN2CCCCC2)ccn1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.54
LOXL2 Q9Y4K0 1/20 0.54
CHEK1 O14757 1/20 0.50
GAA P10253 1/20 0.49
HRH3 Q9Y5N1 3/20 0.47
CXCR4 P61073 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL18713013 0.86 LOX (0.53) LOXLOXL2GAASMN1; SMN2ALDH1A1
SCHEMBL18390563 0.86 LOX (0.53) LOXLOXL2GAASMN1; SMN2ALDH1A1
SCHEMBL10375949 0.84 HRH3 (0.47) LOXLOXL2HRH3CXCR4SMN1; SMN2
SCHEMBL15214346 0.84 HTR7 (0.52) LOXLOXL2GAAHRH3POLB
SCHEMBL13004099 0.84 ALDH1A1 (0.45) HRH3CXCR4SMN1; SMN2POLBALDH1A1
SCHEMBL18705091 0.82 KDM4E (0.49) LOXLOXL2GAAHRH3ALDH1A1
SCHEMBL12767585 0.81 LOX (0.48) LOXLOXL2GAAALDH1A1
SCHEMBL9838916 0.81 HRH3 (0.47) HRH3CXCR4SMN1; SMN2POLBALDH1A1
SCHEMBL21607858 0.81 CXCR4 (0.52) LOXLOXL2CHEK1GAACXCR4
SCHEMBL12677206 0.80 LOX (0.47) LOXLOXL2GAAALDH1A1

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 8 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
WO-1984004304-A1 AMINOIMIDAZOLONE DERIVATIVES AS HISTAMINE H2-ANTAGONISTS SMITH KLINE FRENCH LAB (GB) 1984-11-08 WO disclosed
EP-0117345-A2 Aminopyrimidinones as histamine H2-antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-09-05 EP disclosed