SCHEMBL9867189

SCHEMBL9867189

Cc1[nH]cnc1CSNC(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
SLC47A1 Q96FL8 2/20 0.46
HRH2 P25021 2/20 0.44
HRH1 P35367 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
GABRR1 P24046 1/20 0.42
MEN1 O00255 1/20 0.39
SLC22A2 O15244 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
ATP4A P20648 1/20 0.39
APEX1 P27695 1/20 0.39
PDE4A P27815 1/20 0.39

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
SCHEMBL9866171 0.71 L3MBTL1 (0.55) L3MBTL1SLC47A1HRH2HRH1HRH4
SCHEMBL9867214 0.71 L3MBTL1 (0.59) L3MBTL1SLC47A1HRH2HRH1HRH4
SCHEMBL9867182 0.71 L3MBTL1 (0.59) L3MBTL1SLC47A1HRH2HRH1HRH4
Bromide SCHEMBL10873647 0.70 L3MBTL1 (0.54) L3MBTL1SLC47A1HRH2HRH1HRH4
Bromide SCHEMBL10874304 0.70 L3MBTL1 (0.58) L3MBTL1SLC47A1HRH2HRH1HRH4
SCHEMBL11049254 0.68 L3MBTL1 (0.51) L3MBTL1SLC47A1HRH2HRH1HRH4
SCHEMBL2830891 0.66
SCHEMBL9865226 0.66 L3MBTL1 (0.56) L3MBTL1SLC47A1HRH2HRH1HRH4
Bromide SCHEMBL11190708 0.66 L3MBTL1 (0.93) L3MBTL1SLC47A1HRH2HRH1HRH4
SCHEMBL224925 0.66 L3MBTL1 (0.49) L3MBTL1SLC47A1HRH2HRH1HRH4

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 1 patent. 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