SCHEMBL9866103

SCHEMBL9866103

CCC(CSCc1nc[nH]c1C)N=C(N)NCCCc1c[nH]cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.43
HRH4 Q9H3N8 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
SLC47A1 Q96FL8 2/20 0.36
MEN1 O00255 1/20 0.36
SLC22A2 O15244 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
ATP4A P20648 1/20 0.36
APEX1 P27695 1/20 0.36
PDE4A P27815 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADRA1A P35348 1/20 0.36
ATP4B P51164 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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 SCHEMBL9867337 0.99 HRH2 (0.43) HRH2HRH4HRH3SLC47A1MEN1
SCHEMBL9866179 0.89 HRH2 (0.44) HRH2HRH4HRH3SLC47A1MEN1
Hydrochloric Acid SCHEMBL9865309 0.88 HRH2 (0.44) HRH2HRH4HRH3SLC47A1MEN1
SCHEMBL9866641 0.85 HRH2 (0.52) HRH2HRH4HRH3SLC47A1MEN1
SCHEMBL9865800 0.85 HRH2 (0.52) HRH2HRH4HRH3SLC47A1MEN1
SCHEMBL9866518 0.85 HRH2 (0.52) HRH2HRH4HRH3SLC47A1MEN1
Hydrochloric Acid SCHEMBL9866725 0.85 HRH4 (0.41) HRH2HRH4HRH3SLC47A1MEN1
Hydrochloric Acid SCHEMBL9867631 0.83 HRH2 (0.43) HRH2HRH4HRH3SLC47A1MEN1
Impromidine SCHEMBL3334460 0.81 HRH2 (0.59) HRH2HRH4HRH3SLC47A1MEN1
Impromidine SCHEMBL11039350 0.81 HRH2 (0.59) HRH2HRH4HRH3SLC47A1MEN1

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