SCHEMBL10375083

SCHEMBL10375083

[S]Cc1cc(CN2CCCCC2)ccn1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.55
HRH3 Q9Y5N1 2/20 0.50
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
HRH4 Q9H3N8 1/20 0.46
KDM4E B2RXH2 2/20 0.44
PRMT6 Q96LA8 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
ICAM1 P05362 2/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL10375084 0.83 CXCR4 (0.55) CXCR4HRH3ALDH1A1SMN1; SMN2POLB
SCHEMBL10651140 0.78 HRH3 (0.52) CXCR4HRH3ALDH1A1SMN1; SMN2POLB
SCHEMBL7606866 0.78 SMN1; SMN2 (0.57) CXCR4HRH3ALDH1A1SMN1; SMN2POLB
SCHEMBL2236348 0.78 HRH3 (0.52) CXCR4HRH3ALDH1A1SMN1; SMN2POLB
SCHEMBL10651134 0.78 HRH3 (0.52) CXCR4HRH3ALDH1A1SMN1; SMN2POLB
SCHEMBL2234926 0.78 ALDH1A1 (0.53) CXCR4HRH3ALDH1A1SMN1; SMN2POLB
SCHEMBL840568 0.78 SMN1; SMN2 (0.56) CXCR4HRH3ALDH1A1SMN1; SMN2POLB
SCHEMBL30508470 0.78 SMN1; SMN2 (0.56) CXCR4HRH3ALDH1A1SMN1; SMN2POLB
SCHEMBL9839085 0.77 CXCR4 (0.49) CXCR4HRH3ALDH1A1SMN1; SMN2POLB
SCHEMBL939425 0.76 ALDH1A1 (0.54) CXCR4HRH3ALDH1A1SMN1; SMN2POLB

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