SCHEMBL4091649

SCHEMBL4091649

CC[N+]1(C)CCC(=O)CC1.CS(=O)(=O)[O-]

nearest known ligand 0.00

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.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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 SCHEMBL4083513 0.90
SCHEMBL739073 0.87 TRIM24 (0.32)
SCHEMBL4083156 0.87
Hydrochloric Acid SCHEMBL7493640 0.85 TRIM24 (0.30)
Bromide SCHEMBL4087944 0.85 TRIM24 (0.30)
SCHEMBL14836885 0.79 BBOX1 (0.33)
SCHEMBL4081706 0.78
SCHEMBL16908413 0.77 TSHR (0.36)
Sulfuric Acid SCHEMBL17102670 0.72 BBOX1 (0.34)
SCHEMBL3738651 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081543-A2 BLEACHING AGENT COMPRISING PIPERIDONE/S AND IMIDAZOLE/S Henkel AG & Co. KGaA (DE) 2009-07-29 EP claimed
WO-2008095558-A2 BLEACHING AGENT COMPRISING PIPERIDONE/S AND IMIDAZOLE/S HENKEL AG & CO. KGAA (DE) 2008-08-14 WO claimed