SCHEMBL6959210

SCHEMBL6959210

NCCCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 14/20 0.46
HRH1 P35367 1/20 0.44
MAOA P21397 1/20 0.40
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
KIF11 P52732 1/20 0.38
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
MTOR P42345 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
ENPP2 Q13822 1/20 0.35

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
SCHEMBL1309013 0.95 SIRT2 (0.47) SIRT2HRH1CYP11B1CYP11B2KIF11
SCHEMBL2035093 0.89 SIRT2 (0.49) SIRT2HRH1CYP11B1CYP11B2CYP2C9
SCHEMBL8165853 0.87 SIRT2 (0.47) SIRT2HRH1MAOACYP11B1CYP11B2
SCHEMBL4682888 0.85 SIRT2 (0.46) SIRT2CYP11B1CYP11B2ENPP2
SCHEMBL2490264 0.85 SIRT2 (0.48) SIRT2HRH1MAOACYP11B1CYP11B2
SCHEMBL7705343 0.84 SIRT2 (0.46) SIRT2CYP11B1CYP11B2ENPP2
SCHEMBL2032778 0.84 SIRT2 (0.47) SIRT2CYP11B1CYP11B2ENPP2
SCHEMBL2796109 0.84 SIRT2 (0.52) SIRT2CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL7988290 0.84 SIRT2 (0.47) SIRT2HRH1MAOACYP11B1CYP11B2
SCHEMBL8448421 0.83 SIRT2 (0.43) SIRT2CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1318993-B1 SUBSTITUTED IMIDAZOLES AS DUAL HISTAMINE H1 AND H3 AGONISTS OR ANTAGONISTS SCHERING CORP (US) 2008-08-20 EP disclosed
CN-1461304-A Substituted imidazoles as dual histamine H1 and H3 agonists or antagonists SCHERING CORP (US) 2003-12-10 CN disclosed
EP-0882023-B1 HISTAMINE H 3 RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2003-06-04 EP disclosed
US-6080871-A ANTIHISTAMINES JAMES BLACK FOUNDATION LIMITED (GB) 2000-06-27 US disclosed