SCHEMBL9866890

SCHEMBL9866890

Cc1[nH]cnc1CSCCCN

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.79
HRH2 P25021 3/20 0.56
HRH4 Q9H3N8 2/20 0.56
HRH3 Q9Y5N1 2/20 0.56
HRH1 P35367 1/20 0.56
SLC47A1 Q96FL8 2/20 0.55
TDP1 Q9NUW8 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.46
SLC22A2 O15244 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
GLA P06280 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
ATP4A P20648 1/20 0.46
APEX1 P27695 1/20 0.46
PDE4A P27815 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
Bromide SCHEMBL9865390 0.98 L3MBTL1 (0.77) L3MBTL1HRH2HRH4HRH3HRH1
SCHEMBL9574691 0.90 L3MBTL1 (0.97) L3MBTL1HRH2HRH4HRH3HRH1
SCHEMBL6905968 0.90 L3MBTL1 (0.72) L3MBTL1HRH2HRH4HRH3HRH1
Hydrochloric Acid SCHEMBL10754189 0.88 L3MBTL1 (1.00) L3MBTL1HRH2HRH4HRH3HRH1
Hydrochloric Acid SCHEMBL29705122 0.88 L3MBTL1 (1.00) L3MBTL1HRH2HRH4HRH3HRH1
Bromide SCHEMBL11190708 0.88 L3MBTL1 (0.93) L3MBTL1HRH2HRH4HRH3HRH1
Hydrochloric Acid SCHEMBL29001971 0.87 L3MBTL1 (0.90) L3MBTL1HRH2HRH4HRH3HRH1
SCHEMBL11418864 0.80 L3MBTL1 (0.51) L3MBTL1HRH2HRH4HRH3HRH1
SCHEMBL10540319 0.80 L3MBTL1 (0.59) L3MBTL1HRH2HRH4HRH3HRH1
SCHEMBL11545751 0.79 L3MBTL1 (0.68) L3MBTL1HRH2HRH4HRH3HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5021431-A H-1 antagonist, h-2 agonist for treating hypertension, cardiac disease or arterial occlusion HEUMANN PHARMA GMBH & CO. (DE) 1991-06-04 US disclosed
US-4523015-A Process and nitroaminopyrimidone intermediates for histamine H2 -antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-06-11 US disclosed
EP-0004793-B1 2-NITRO AMINOPYRIMIDONE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE TO PREPARE 2-AMINOPYRIMIDONE DERIVATIVES WHICH HAVE HISTAMINE H2-ANTAGONIST ACTIVITY SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-12-30 EP disclosed
US-4227000-A Intermediates in the process for making histamine antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-10-07 US disclosed
US-4216318-A HISTAMINE HZ-ANTAGONISTS, ISOCYTOSINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-08-05 US disclosed
US-4154834-A HETEROCYCLIC-(THIO)ALKYLAMINO SUBSTITUTED-4-PYRIMIDONE OR -THIONES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-05-15 US disclosed