SCHEMBL6586290

SCHEMBL6586290

CN=C(NCCCN1CCCC1)NCc1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.54
HRH3 Q9Y5N1 2/20 0.52
PKM P14618 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FPR3 P25089 1/20 0.47
FPR2 P25090 1/20 0.47
CACNA1G O43497 2/20 0.46
TDP1 Q9NUW8 1/20 0.45

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 SCHEMBL6341467 0.80 HRH3 (0.57) SIGMAR1HRH3PKMGAASMN1; SMN2
SCHEMBL6338600 0.79 SIGMAR1 (0.58) SIGMAR1HRH3
SCHEMBL6338599 0.79 SIGMAR1 (0.58) SIGMAR1HRH3
Hydrochloric Acid SCHEMBL6406743 0.76 SIGMAR1 (0.58) SIGMAR1HRH3GAASMN1; SMN2FPR3
SCHEMBL4412835 0.76 CHRM2 (0.54) SIGMAR1HRH3SMN1; SMN2
Hydrochloric Acid SCHEMBL6338738 0.75 SIGMAR1 (0.59) SIGMAR1HRH3GAASMN1; SMN2FPR3
SCHEMBL4551826 0.75 MCHR1 (0.53) SIGMAR1HRH3
Hydrochloric Acid SCHEMBL6341471 0.72 SIGMAR1 (0.76) SIGMAR1HRH3
Hydrochloric Acid SCHEMBL6336991 0.72 HRH3 (0.67) SIGMAR1HRH3GAASMN1; SMN2
Hydrochloric Acid SCHEMBL6339591 0.72 HRH3 (0.63) SIGMAR1HRH3PKMGAASMN1; SMN2

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
EP-1056733-B1 HISTAMINE H3 RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2004-01-07 EP disclosed
EP-1056733-A1 HISTAMINE H3 RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2000-12-06 EP disclosed
WO-1999042458-A1 HISTAMINE H3 RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 1999-08-26 WO disclosed