SCHEMBL174395

SCHEMBL174395

CS(=O)(=O)O.ClCc1ccc2c(c1)CCNCC2

nearest known ligand 0.55

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 9)

geneUniProtsupporting neighboursconfidence
HTR2C known ✓ P28335 7/20 0.48
HTR2A known ✓ P28223 2/20 0.46
DRD2 known ✓ P14416 1/20 0.46
DRD3 known ✓ P35462 1/20 0.46
MLNR O43193 9/20 0.50
HTR2B P41595 5/20 0.48
CYP2D6 P10635 2/20 0.47
HTR6 P50406 1/20 0.46
PNMT P11086 1/20 0.44

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
Sulfuric Acid SCHEMBL174597 0.94 MLNR (0.52) MLNRHTR2CHTR2BCYP2D6HTR2A
SCHEMBL162032 0.87 HTR2C (0.57) MLNRHTR2CHTR2BCYP2D6HTR2A
Bromide SCHEMBL174563 0.85 HTR2C (0.55) MLNRHTR2CHTR2BCYP2D6HTR2A
Malonic Acid SCHEMBL173339 0.85 HTR2C (0.45) MLNRHTR2CHTR2BCYP2D6HTR2A
Phosphoric Acid SCHEMBL174207 0.84 HTR2C (0.47) MLNRHTR2CHTR2BCYP2D6HTR2A
Nitric Acid SCHEMBL174071 0.82 MLNR (0.47) MLNRHTR2CHTR2BCYP2D6HTR2A
Glycolic Acid SCHEMBL174349 0.82 HTR2C (0.45) MLNRHTR2CHTR2BCYP2D6HTR2A
Succinic Acid SCHEMBL174914 0.82 HTR2C (0.45) MLNRHTR2CHTR2BCYP2D6HTR2A
Adipic Acid SCHEMBL173690 0.79 HTR2C (0.42) MLNRHTR2CHTR2BCYP2D6HTR2A
SCHEMBL10623977 0.76 PNMT (0.73) HTR2CHTR2BHTR6PNMT

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 4 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
EP-2611427-A2 MODIFIED-RELEASE DOSAGE FORMS OF 5-HT2C AGONISTS USEFUL FOR WEIGHT MANAGEMENT& xA; Arena Pharmaceuticals, Inc. (US) 2013-07-10 EP disclosed
WO-2012030927-A2 MODIFIED-RELEASE DOSAGE FORMS OF 5-HT2C AGONISTS USEFUL FOR WEIGHT MANAGEMENT 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