SCHEMBL11039697

SCHEMBL11039697

CN(C)Cc1ccc(CSCC/N=C(/N)NCCCc2c[nH]cn2)s1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
EBP Q15125 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL11039700 1.00 HRH2 (0.35) HRH2HRH4HRH3BCHEACHE
Hydrochloric Acid SCHEMBL11075294 0.99 HRH2 (0.35) HRH2HRH4HRH3BCHEACHE
SCHEMBL11091404 0.86 BCHE (0.51) HRH2HRH4HRH3BCHEACHE
SCHEMBL11091406 0.86 BCHE (0.51) HRH2HRH4HRH3BCHEACHE
Hydrochloric Acid SCHEMBL11081094 0.85 ACHE (0.49) BCHEACHE
Hydrochloric Acid SCHEMBL11041744 0.83 ACHE (0.33) BCHEACHE
SCHEMBL7178167 0.82 HRH4 (0.41) HRH2HRH4HRH3EBPSIGMAR1
SCHEMBL9866042 0.79 SCN5A (0.44) HRH2HRH4HRH3EBPSIGMAR1
SCHEMBL11091410 0.79 BCHE (0.51) HRH2HRH4HRH3BCHEACHE
SCHEMBL7175849 0.79 HRH4 (0.36) HRH2HRH4HRH3EBPSIGMAR1

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
EP-0041359-B1 PROCESS FOR THE PREPARATION OF HETEROCYCLYLALKYL GUANIDINES; INTERMEDIATES AND THEIR PREPARATION SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-11-14 EP disclosed