SCHEMBL174465

SCHEMBL174465

CC1(Cl)CNCCc2ccccc21.CS(=O)(=O)O

nearest known ligand 0.43

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C known ✓ P28335 8/20 0.43
HTR2A known ✓ P28223 5/20 0.43
DRD2 known ✓ P14416 2/20 0.36
SLC6A2 known ✓ P23975 1/20 0.36
SLC6A4 known ✓ P31645 1/20 0.36
MAOB known ✓ P27338 1/20 0.36
DRD1 known ✓ P21728 1/20 0.35
PNMT P11086 4/20 0.37
HTR2B P41595 5/20 0.36
HTR6 P50406 1/20 0.36
CD44 P16070 1/20 0.36

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
SCHEMBL173319 0.89 HTR2A (0.51) HTR2CHTR2APNMTDRD2SLC6A2
Hydrochloric Acid SCHEMBL5317898 0.88 HTR2A (0.50) HTR2CHTR2APNMTDRD2SLC6A2
Phosphoric Acid SCHEMBL174685 0.87 HTR2A (0.44) HTR2CHTR2APNMTDRD2SLC6A2
Malonic Acid SCHEMBL174326 0.86 HTR2A (0.41) HTR2CHTR2APNMTDRD2SLC6A2
Glycolic Acid SCHEMBL174591 0.83 HTR2A (0.41) HTR2CHTR2APNMTDRD2SLC6A2
Succinic Acid SCHEMBL175159 0.83 HTR2A (0.41) HTR2CHTR2ADRD2SLC6A2SLC6A4
Adipic Acid SCHEMBL173981 0.81 L3MBTL1 (0.41) HTR2CHTR2ADRD2SLC6A2SLC6A4
Alpha-Ketoglutaric Acid SCHEMBL174485 0.78 HTR2A (0.37) HTR2CHTR2ADRD2SLC6A2SLC6A4
Citric Acid SCHEMBL173747 0.77 SLC13A5 (0.39) HTR2CHTR2A
SCHEMBL9058489 0.74 HTR2A (0.62) HTR2CHTR2APNMTDRD2SLC6A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611449-A1 ADMINISTRATION OF LORCASERIN TO INDIVIDUALS WITH RENAL IMPAIRMENT Arena Pharmaceuticals, Inc. (US) 2013-07-10 EP disclosed
WO-2012030953-A1 5-HT2C RECEPTOR AGONISTS IN THE TREATMENT OF DISORDERS AMELIORATED BY REDUCTION OF NOREPINEPHRINE LEVEL ARENA PHARMACEUTICALS, INC. (US) 2012-03-08 WO disclosed
WO-2012030939-A1 ADMINISTRATION OF LORCASERIN TO INDIVIDUALS WITH RENAL IMPAIRMENT ARENA PHARMACEUTICALS, INC. (US) 2012-03-08 WO disclosed