SCHEMBL8128602

SCHEMBL8128602

CS(=O)(=O)O.O=C1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC(CN2CCOCC2)N1CC1CCN(c2ccncc2)CC1

nearest known ligand 0.51

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 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.51
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41

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
SCHEMBL8126491 0.96 F10 (0.51) F10HTR7HTR6
SCHEMBL8127795 0.93 F10 (0.50) F10HTR7HTR6
SCHEMBL8121987 0.90 F10 (0.54) F10
SCHEMBL8125937 0.90 F10 (0.53) F10
SCHEMBL8119417 0.90 F10 (0.53) F10HTR7HTR6
SCHEMBL8120126 0.88 F10 (0.51) F10
SCHEMBL8136384 0.88 F10 (0.51) F10
SCHEMBL8125188 0.88 F10 (0.51) F10
SCHEMBL8135147 0.88 F10 (0.54) F10
SCHEMBL8120042 0.88 F10 (0.51) F10

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-1048652-A1 AROMATIC COMPOUNDS HAVING CYCLIC AMINO OR SALTS THEREOF MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 EP disclosed