SCHEMBL14765259

SCHEMBL14765259

NCc1ccc(CCF)cc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 8/20 0.34
HTR2A P28223 1/20 0.34
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.32
CCR5 P51681 1/20 0.32
SNCA P37840 2/20 0.32
KDM4E B2RXH2 2/20 0.31
ADRA2A P08913 2/20 0.31
MAPT P10636 2/20 0.31
DRD2 P14416 2/20 0.31
DRD1 P21728 2/20 0.31
DRD4 P21917 2/20 0.31
DRD5 P21918 2/20 0.31
MAPK1 P28482 2/20 0.31
DRD3 P35462 2/20 0.31
RECQL P46063 2/20 0.31
SLC6A3 Q01959 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
PNMT P11086 1/20 0.31

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
SCHEMBL14769321 0.84 LOXL2 (0.37) TAAR1HTR2ALOXL2PNMT
SCHEMBL13443566 0.83 HRH3 (0.40) TAAR1HTR2ALOXL2CCR5SNCA
SCHEMBL27834140 0.82 KDM4E (0.44) TAAR1HTR2ASLC6A2SLC6A4SNCA
Hydrochloric Acid SCHEMBL27804601 0.81 CA1 (0.39) TAAR1LOXL2CCR5SNCAMAPT
SCHEMBL10264740 0.78 CA2 (0.36) TAAR1HTR2ASLC6A2SLC6A4CCR5
SCHEMBL27857434 0.78 CA1 (0.33) TAAR1HTR2ALOXL2CCR5SNCA
SCHEMBL18501731 0.73 HRH3 (0.42) TAAR1SLC6A2SLC6A4CCR5SLC6A3
SCHEMBL3910128 0.72 MPO (0.44) TAAR1HTR2ALOXL2ALDH1A1
SCHEMBL28879858 0.72 CYP2A6 (0.47) TAAR1HTR2ACCR5KDM4EMAPT
Hydrochloric Acid SCHEMBL856646 0.71 MPO (0.43) TAAR1HTR2ALOXL2ALDH1A1HTR1A

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
WO-2013036869-A2 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2013-03-14 WO disclosed