SCHEMBL8007345

SCHEMBL8007345

COC(=O)c1cc(C(=O)NCCC2CCCN2C)cc(-c2cc(Cl)ccc2Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 15/20 0.51
CHRNB2 P17787 1/20 0.44
CHRNA5 P30532 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
TLR9 Q9NR96 1/20 0.43
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
PDE4B Q07343 1/20 0.42

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 SCHEMBL8662398 0.86 CHRM3 (0.46) CHRM3TLR9TLR8TLR7ADORA2B
SCHEMBL8007343 0.79 ALDH1A1 (0.58)
SCHEMBL7995563 0.78 LMNA (0.61)
SCHEMBL8005080 0.77 KMT2A (0.51) ADORA1PDE4B
Hydrochloric Acid SCHEMBL7995813 0.76 KMT2A (0.50) ADORA1PDE4B
SCHEMBL7995581 0.75 MCHR1 (0.46)
SCHEMBL8007800 0.75 ADORA1 (0.47) ADORA1PDE4B
SCHEMBL5622140 0.75 ADORA1 (0.55) CHRM3CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL7995541 0.74 KMT2A (0.46)
SCHEMBL8664616 0.74 MAPK1 (0.47) ADORA1PDE4B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6017917-A Guanidine derivatives FUJISAWA PHARAMCEUTICAL CO., LTD. (JP) 2000-01-25 US disclosed
EP-0876338-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-11 EP disclosed
WO-1997025310-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-17 WO disclosed