SCHEMBL28809257

SCHEMBL28809257

Clc1ccc2c(c1)[C@@H](CI)CNCC2

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 17/20 0.74
HTR2A P28223 16/20 0.74
HTR2B P41595 14/20 0.74
SLC6A4 P31645 2/20 0.63
ADRB1 P08588 1/20 0.63
HTR1A P08908 1/20 0.63
ADRA2A P08913 1/20 0.63
ADRA2B P18089 1/20 0.63
ADRA2C P18825 1/20 0.63
CNR1 P21554 1/20 0.63
SLC6A2 P23975 1/20 0.63
HRH1 P35367 1/20 0.63
KCNH2 Q12809 1/20 0.63
PNMT P11086 1/20 0.46
ALOX12 P18054 2/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL1094635 0.85 HTR2A (1.00) HTR2CHTR2AHTR2BSLC6A4ADRB1
SCHEMBL1094393 0.85 HTR2A (1.00) HTR2CHTR2AHTR2BSLC6A4ADRB1
SCHEMBL1094636 0.85 HTR2A (1.00) HTR2CHTR2AHTR2BSLC6A4ADRB1
Lorcaserin SCHEMBL29349440 0.78 HTR2A (1.00) HTR2CHTR2AHTR2BSLC6A4ADRB1
Lorcaserin SCHEMBL1094953 0.78 HTR2A (1.00) HTR2CHTR2AHTR2BSLC6A4ADRB1
Lorcaserin SCHEMBL5946555 0.78 HTR2A (1.00) HTR2CHTR2AHTR2BSLC6A4ADRB1
Lorcaserin SCHEMBL170848 0.78 HTR2A (1.00) HTR2CHTR2AHTR2BSLC6A4ADRB1
Lorcaserin SCHEMBL169382 0.78 HTR2A (1.00) HTR2CHTR2AHTR2BSLC6A4ADRB1
SCHEMBL1095853 0.76 HTR2A (0.69) HTR2CHTR2AHTR2BSLC6A4ADRB1
Lorcaserin SCHEMBL174044 0.76 HTR2A (0.97) HTR2CHTR2AHTR2BSLC6A4ADRB1

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
CN-102015591-B Processes for the preparation of intermediates related to the 5-HT2C agonist (R)-8-choro-i-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine ARENA PHARM INC 2014-01-29 CN disclosed