SCHEMBL2365641

SCHEMBL2365641

COc1cc2c(cc1I)C(C)(C(=O)C(F)(F)F)CNCC2

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.43
HTR2C P28335 11/20 0.43
HTR2B P41595 10/20 0.43
PKM P14618 1/20 0.32
DRD1 P21728 1/20 0.31
DRD5 P21918 1/20 0.31
MAOA P21397 2/20 0.31
PIN1 Q13526 3/20 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
SCHEMBL6532681 0.86 HTR2C (0.49) HTR2AHTR2CHTR2BPKMDRD1
SCHEMBL2365632 0.84 ADRA2A (0.37)
SCHEMBL6631310 0.84 FGFR4 (0.35) HTR2AHTR2CHTR2B
SCHEMBL2365770 0.79 TNFRSF1A (0.37) HTR2AHTR2CHTR2B
SCHEMBL6650634 0.75 ALDH1A1 (0.39) HTR2AHTR2CDRD1
SCHEMBL2365631 0.75 DRD2 (0.40) HTR2AHTR2CDRD1DRD5
SCHEMBL2477900 0.75 HTR2A (0.58) HTR2AHTR2CHTR2B
SCHEMBL1907864 0.74 ADRA2A (0.37) HTR2AHTR2C
SCHEMBL2369023 0.73 HTR2A (0.48) HTR2AHTR2CHTR2BDRD1DRD5
SCHEMBL2365900 0.72 HTR2A (0.51) HTR2AHTR2CMAOA

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