SCHEMBL2365801

SCHEMBL2365801

COc1cc2c(cc1Br)C(C(=O)C(F)(F)F)(C(C)C)CNCC2

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.46
HTR2B P41595 8/20 0.46
HTR2A P28223 7/20 0.46
DRD1 P21728 1/20 0.34
DRD5 P21918 1/20 0.34
CCR2 P41597 2/20 0.32
ABHD6 Q9BV23 1/20 0.31
PKM P14618 1/20 0.30

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
SCHEMBL6653629 0.85 ADRA2A (0.35) HTR2CHTR2BHTR2A
SCHEMBL6532681 0.84 HTR2C (0.49) HTR2CHTR2BHTR2ADRD1DRD5
SCHEMBL22609757 0.74 HTR2C (0.60) HTR2CHTR2BHTR2ADRD1DRD5
SCHEMBL1105041 0.71 HTR2C (0.60) HTR2CHTR2BHTR2ADRD1DRD5
SCHEMBL2365641 0.70 HTR2A (0.43) HTR2CHTR2BHTR2ADRD1DRD5
SCHEMBL14483788 0.69 HTR2C (0.44) HTR2CHTR2BHTR2ADRD1DRD5
SCHEMBL3847064 0.69 HTR2C (0.44) HTR2CHTR2BHTR2ADRD1DRD5
SCHEMBL2365900 0.68 HTR2A (0.51) HTR2CHTR2A
SCHEMBL6631310 0.68 FGFR4 (0.35) HTR2CHTR2BHTR2AABHD6
SCHEMBL2365770 0.67 TNFRSF1A (0.37) HTR2CHTR2BHTR2A

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