SCHEMBL9865962

SCHEMBL9865962

Cc1[nH]cnc1CSCCCNC(=N)NCCCc1c[nH]cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC47A1 Q96FL8 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HRH2 P25021 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
SLC22A2 O15244 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
ATP4A P20648 1/20 0.43
APEX1 P27695 1/20 0.43
PDE4A P27815 1/20 0.43
CYP2C19 P33261 1/20 0.43
ADRA1A P35348 1/20 0.43
ATP4B P51164 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC47A2 Q86VL8 1/20 0.43

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
Hydrochloric Acid SCHEMBL9866445 0.99 L3MBTL1 (0.45) SLC47A1L3MBTL1HRH2SMN1; SMN2MEN1
Impromidine SCHEMBL407158 0.96 SLC47A1 (0.47) SLC47A1L3MBTL1HRH2SMN1; SMN2MEN1
SCHEMBL9866634 0.96 SLC47A1 (0.44) SLC47A1L3MBTL1HRH2SMN1; SMN2MEN1
Impromidine SCHEMBL7177531 0.95 HRH2 (0.47) SLC47A1L3MBTL1HRH2SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL9867591 0.95 L3MBTL1 (0.45) SLC47A1L3MBTL1HRH2SMN1; SMN2MEN1
Impromidine SCHEMBL7175042 0.95 HRH2 (0.47) SLC47A1L3MBTL1HRH2SMN1; SMN2MEN1
Impromidine SCHEMBL636059 0.95 HRH2 (0.47) SLC47A1L3MBTL1HRH2SMN1; SMN2MEN1
SCHEMBL9866194 0.86 SLC47A1 (0.36) SLC47A1L3MBTL1HRH2SMN1; SMN2MEN1
SCHEMBL9866169 0.86 SLC47A1 (0.36) SLC47A1L3MBTL1HRH2SMN1; SMN2MEN1
SCHEMBL9866816 0.86 SLC47A1 (0.36) SLC47A1L3MBTL1HRH2SMN1; SMN2MEN1

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