SCHEMBL2365900

SCHEMBL2365900

CC1(C(=O)C(F)(F)F)CNCCc2cc(OCc3ccccc3)c(Br)cc21

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
CFD P00746 2/20 0.37
F11 P03951 2/20 0.37
PTPN1 P18031 2/20 0.36
SLC6A4 P31645 1/20 0.36
KLKB1 P03952 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
HIF1A Q16665 1/20 0.34
PTGER1 P34995 1/20 0.33
ABCB1 P08183 1/20 0.33

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
SCHEMBL2365641 0.72 HTR2A (0.43) HTR2AHTR2CMAOA
SCHEMBL629337 0.72 HTR2A (0.52) HTR2AHTR2CPTPN1MAOAMAOB
SCHEMBL2365632 0.71 ADRA2A (0.37)
SCHEMBL2365770 0.70 TNFRSF1A (0.37) HTR2AHTR2C
SCHEMBL2477900 0.70 HTR2A (0.58) HTR2AHTR2CSLC6A4
SCHEMBL6631310 0.70 FGFR4 (0.35) HTR2AHTR2C
SCHEMBL6653629 0.69 ADRA2A (0.35) HTR2AHTR2CPTPN1
SCHEMBL6650634 0.69 ALDH1A1 (0.39) HTR2AHTR2C
SCHEMBL1095655 0.68 HTR2A (0.56) HTR2AHTR2C
SCHEMBL1095724 0.68 HTR2C (1.00) HTR2AHTR2CSLC6A4

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-2363394-A1 8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine, its salts, solvates or hydrates and its use for the treatment of CNS disorders Arena Pharmaceuticals, Inc. (US) 2011-09-07 EP disclosed