SCHEMBL9867052

SCHEMBL9867052

CC[C@H](CSCc1nc[nH]c1C)NC(=N)NCCCc1c[nH]cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC47A1 Q96FL8 2/20 0.35
HRH2 P25021 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
SLC22A2 O15244 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
ATP4A P20648 1/20 0.35
APEX1 P27695 1/20 0.35
PDE4A P27815 1/20 0.35
CYP2C19 P33261 1/20 0.35
ADRA1A P35348 1/20 0.35
ATP4B P51164 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC47A2 Q86VL8 1/20 0.35
SLC22A8 Q8TCC7 1/20 0.35

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
SCHEMBL9866138 1.00 SLC47A1 (0.35) SLC47A1HRH2SMN1; SMN2MEN1SLC22A2
SCHEMBL9866084 1.00 SLC47A1 (0.35) SLC47A1HRH2SMN1; SMN2MEN1SLC22A2
Hydrochloric Acid SCHEMBL9867630 0.99 L3MBTL1 (0.35) SLC47A1HRH2SMN1; SMN2MEN1SLC22A2
Hydrochloric Acid SCHEMBL9867330 0.99 L3MBTL1 (0.35) SLC47A1HRH2SMN1; SMN2MEN1SLC22A2
Hydrochloric Acid SCHEMBL10873005 0.99 L3MBTL1 (0.35) SLC47A1HRH2SMN1; SMN2MEN1SLC22A2
SCHEMBL9866816 0.90 SLC47A1 (0.36) SLC47A1HRH2SMN1; SMN2MEN1SLC22A2
SCHEMBL9866194 0.90 SLC47A1 (0.36) SLC47A1HRH2SMN1; SMN2MEN1SLC22A2
SCHEMBL9866169 0.90 SLC47A1 (0.36) SLC47A1HRH2SMN1; SMN2MEN1SLC22A2
Hydrochloric Acid SCHEMBL10874476 0.89 L3MBTL1 (0.37) SLC47A1HRH2SMN1; SMN2MEN1SLC22A2
Hydrochloric Acid SCHEMBL9866175 0.89 L3MBTL1 (0.37) SLC47A1HRH2SMN1; SMN2MEN1SLC22A2

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