SCHEMBL12460718

SCHEMBL12460718

CN(CCCOc1ccc(C#N)cc1)C1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.48
HRH2 P25021 8/20 0.48
HRH1 P35367 8/20 0.48
SLC6A2 P23975 3/20 0.45
SLC6A4 P31645 3/20 0.45
SLC6A3 Q01959 2/20 0.45
LSS P48449 2/20 0.44
CACNA1B Q00975 2/20 0.44
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
HTR3A P46098 1/20 0.43
KCNH2 Q12809 1/20 0.43
KDM1A O60341 1/20 0.43
CACNA1H O95180 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
SCHEMBL12460719 0.80 HRH3 (0.56) HRH3HRH2HRH1
SCHEMBL7823918 0.79 LSS (0.48) HRH3SLC6A2SLC6A4SLC6A3LSS
SCHEMBL1715204 0.77 MMP2 (0.41) HRH3HRH2HRH1SLC6A2SLC6A4
SCHEMBL492168 0.76 CACNA1B (0.66) HRH3SLC6A4LSSCACNA1BCACNA1H
SCHEMBL2338542 0.76 SLC6A2 (0.57) HRH3HRH2HRH1SLC6A2SLC6A4
SCHEMBL6653536 0.75 LSS (0.53) HRH3SLC6A2SLC6A4SLC6A3LSS
SCHEMBL12460736 0.75 CACNA1B (0.53) HRH3HRH2HRH1CACNA1BCACNA1H
SCHEMBL13437933 0.74 ADRB1 (0.47) HRH3LSSHTR3AKCNH2KDM1A
SCHEMBL22878508 0.74 SLC6A2 (0.47) HRH3SLC6A2SLC6A4SLC6A3
SCHEMBL1714172 0.74 SLC6A2 (0.58) HRH3HRH2HRH1SLC6A2SLC6A4

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