SCHEMBL11210012

SCHEMBL11210012

CNCc1ccc(CSCCNC(=N)NCCSCc2ccc(CN(C)C)o2)o1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 15/20 0.65
▸ BCHE P06276 10/20 0.57
▸ MEN1 O00255 1/20 0.56
▸ SLC22A1 O15245 1/20 0.56
▸ ABCB11 O95342 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ CHRM2 P08172 1/20 0.56
▸ CHRM1 P11229 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ ADRA2C P18825 1/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ CHRM3 P20309 1/20 0.56
▸ ATP4A P20648 1/20 0.56
▸ PTGS1 P23219 1/20 0.56
▸ HRH2 P25021 1/20 0.56
▸ SLC6A4 P31645 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ ADRA1A P35348 1/20 0.56
▸ PTGS2 P35354 1/20 0.56
▸ ATP4B P51164 1/20 0.56

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
SCHEMBL11357599 0.89 ACHE (0.70) ACHEBCHEMEN1SLC22A1ABCB11
SCHEMBL11371108 0.83 ACHE (0.64) ACHEBCHEMEN1SLC22A1ABCB11
SCHEMBL11372615 0.83 ACHE (0.64) ACHEBCHEMEN1SLC22A1ABCB11
SCHEMBL11211874 0.82 ACHE (0.71) ACHEBCHEMEN1SLC22A1ABCB11
SCHEMBL11285100 0.82 ACHE (0.71) ACHEBCHEMEN1SLC22A1ABCB11
SCHEMBL13202820 0.81 ACHE (0.75) ACHEBCHEMEN1SLC22A1ABCB11
SCHEMBL11206791 0.81 ACHE (0.82) ACHEBCHEMEN1SLC22A1ABCB11
SCHEMBL11206807 0.81 ACHE (0.82) ACHEBCHEMEN1SLC22A1ABCB11
SCHEMBL11361622 0.81 ACHE (0.66) ACHEBCHEMEN1SLC22A1ABCB11
SCHEMBL11207443 0.81 ACHE (0.59) ACHEBCHEMEN1SLC22A1ABCB11

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-0002930-B1 AMINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1983-12-14 — — EP disclosed
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