SCHEMBL9865686

SCHEMBL9865686

CC[C@@H](N)CSCc1nc[nH]c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.48
SLC47A1 Q96FL8 2/20 0.46
HRH2 P25021 3/20 0.45
HRH4 Q9H3N8 2/20 0.45
HRH3 Q9Y5N1 2/20 0.45
HRH1 P35367 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
GABRR1 P24046 1/20 0.39
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
SCHEMBL9865226 1.00 L3MBTL1 (0.56) L3MBTL1SMN1; SMN2SLC47A1HRH2HRH4
SCHEMBL9868881 1.00 L3MBTL1 (0.56) L3MBTL1SMN1; SMN2SLC47A1HRH2HRH4
Bromide SCHEMBL10873394 0.98 L3MBTL1 (0.55) L3MBTL1SMN1; SMN2SLC47A1HRH2HRH4
SCHEMBL9867182 0.84 L3MBTL1 (0.59) L3MBTL1SMN1; SMN2SLC47A1HRH2HRH4
SCHEMBL9867214 0.84 L3MBTL1 (0.59) L3MBTL1SMN1; SMN2SLC47A1HRH2HRH4
Bromide SCHEMBL10874304 0.83 L3MBTL1 (0.58) L3MBTL1SMN1; SMN2SLC47A1HRH2HRH4
SCHEMBL11004256 0.78 L3MBTL1 (0.33) L3MBTL1
SCHEMBL9574691 0.73 L3MBTL1 (0.97) L3MBTL1SMN1; SMN2SLC47A1HRH2HRH4
SCHEMBL6905968 0.73 L3MBTL1 (0.72) L3MBTL1SMN1; SMN2SLC47A1HRH2HRH4
SCHEMBL10678280 0.73 L3MBTL1 (0.62) L3MBTL1SMN1; SMN2SLC47A1HRH2HRH4

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 2 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
EP-0199845-A1 Imidazolylalkylguanidin derivatives, process for their preparation and pharmaceutical compositions containing them HEUMANN PHARMA GMBH & CO (DE) 1986-11-05 EP disclosed