SCHEMBL12460719

SCHEMBL12460719

CN(CCCOc1ccc(C#N)cc1)C1CCN(Cc2ccc(C#N)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.56
HRH2 P25021 6/20 0.56
HRH1 P35367 6/20 0.56
RAB9A P51151 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP2D6 P10635 1/20 0.51
KMT2A Q03164 1/20 0.51
NPC1 O15118 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL5622767 0.82 HRH3 (0.50) HRH3HRH2HRH1RAB9AMEN1
SCHEMBL12460718 0.80 HRH3 (0.48) HRH3HRH2HRH1
SCHEMBL16569508 0.80 HRH3 (0.54) HRH3HRH2HRH1MEN1KMT2A
SCHEMBL1713974 0.80 HRH3 (0.46) HRH3HRH2HRH1RAB9AMEN1
SCHEMBL1715355 0.76 HRH3 (0.71) HRH3HRH2HRH1
SCHEMBL1715453 0.75 HRH3 (0.50) HRH3HRH2HRH1MEN1KMT2A
SCHEMBL17975502 0.75 HRH3 (0.61) HRH3HRH2HRH1
SCHEMBL15033035 0.74 HRH3 (0.71) HRH3RAB9AMEN1ALDH1A1CYP2D6
SCHEMBL14469175 0.74 HRH3 (0.67) HRH3RAB9AMEN1ALDH1A1CYP2D6
SCHEMBL14528025 0.73 HRH3 (0.53) HRH3HRH2HRH1RAB9AMEN1

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-1481966-B1 NOVEL ARYLAMIDINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2011-07-20 EP disclosed