SCHEMBL4619682

SCHEMBL4619682

N#Cc1ccc(NCCCN2CC3CCCC3C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
HRH3 Q9Y5N1 11/20 0.45
HRH2 P25021 5/20 0.43
HRH1 P35367 5/20 0.43
CACNA1B Q00975 2/20 0.42
CACNA1H O95180 1/20 0.41
CCR3 P51677 1/20 0.41
KMT2A Q03164 1/20 0.40
CHRM1 P11229 1/20 0.40
HTR2A P28223 1/20 0.40
MCHR1 Q99705 1/20 0.40
SIGMAR1 Q99720 2/20 0.40
EGLN2 Q96KS0 1/20 0.39

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
SCHEMBL4621353 0.96 MEN1 (0.45) MEN1HRH3HRH2HRH1CACNA1B
Oxalic Acid SCHEMBL4483558 0.93 MEN1 (0.44) MEN1HRH3HRH2HRH1CACNA1B
Oxalic Acid SCHEMBL4490074 0.89 CCR3 (0.43) MEN1HRH3HRH2HRH1CACNA1B
SCHEMBL6094850 0.86 HRH3 (0.50) MEN1HRH3HRH2HRH1CACNA1B
SCHEMBL6095491 0.85 HRH3 (0.60) MEN1HRH3HRH2HRH1CACNA1B
Oxalic Acid SCHEMBL4486076 0.85 PAX8 (0.41) MEN1HRH3CCR3
SCHEMBL7243006 0.85 HRH3 (0.44) MEN1HRH3HRH2HRH1CACNA1B
SCHEMBL5965540 0.84 MEN1 (0.48) MEN1HRH3HRH2HRH1CACNA1B
SCHEMBL2967483 0.82 KCNH2 (0.48) MEN1HRH3HRH2HRH1CACNA1B
SCHEMBL6095697 0.82 CCR3 (0.43) MEN1HRH3HRH2HRH1CACNA1B

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-1720544-B1 NOVEL AZABICYCLIC DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2008-03-19 EP disclosed