SCHEMBL9867182

SCHEMBL9867182

Cc1[nH]cnc1CSCC(C)N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.50
SLC47A1 Q96FL8 2/20 0.48
HRH2 P25021 3/20 0.47
HRH4 Q9H3N8 2/20 0.47
HRH3 Q9Y5N1 2/20 0.47
HRH1 P35367 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
GABRR1 P24046 1/20 0.45
MEN1 O00255 1/20 0.40
SLC22A2 O15244 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
ATP4A P20648 1/20 0.40
APEX1 P27695 1/20 0.40
PDE4A P27815 1/20 0.40

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
SCHEMBL9867214 1.00 L3MBTL1 (0.59) L3MBTL1SMN1; SMN2SLC47A1HRH2HRH4
Bromide SCHEMBL10874304 0.98 L3MBTL1 (0.58) L3MBTL1SMN1; SMN2SLC47A1HRH2HRH4
SCHEMBL9865686 0.84 L3MBTL1 (0.56) L3MBTL1SMN1; SMN2SLC47A1HRH2HRH4
SCHEMBL9868881 0.84 L3MBTL1 (0.56) L3MBTL1SMN1; SMN2SLC47A1HRH2HRH4
SCHEMBL9865226 0.84 L3MBTL1 (0.56) L3MBTL1SMN1; SMN2SLC47A1HRH2HRH4
Bromide SCHEMBL10873394 0.83 L3MBTL1 (0.55) L3MBTL1SMN1; SMN2SLC47A1HRH2HRH4
SCHEMBL11003643 0.82 L3MBTL1 (0.40) L3MBTL1SMN1; SMN2SLC47A1HRH2HRH4
Bromide SCHEMBL11004918 0.81 L3MBTL1 (0.39) L3MBTL1SMN1; SMN2SLC47A1HRH2HRH4
SCHEMBL11005817 0.77 L3MBTL1 (0.34) L3MBTL1HRH4HRH3MEN1LMNA
SCHEMBL9574691 0.76 L3MBTL1 (0.97) 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 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