SCHEMBL29252569

SCHEMBL29252569

CCCCCCCCCCN1CCC(C)C1=O.CS(=O)(=O)O

nearest known ligand 0.44

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
PIK3CD known ✓ O00329 1/20 0.44
CHRM1 known ✓ P11229 1/20 0.40
GBA1 P04062 1/20 0.44
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM3 P20309 1/20 0.40
BCHE P06276 4/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL30697352 0.91 PIK3CD (0.51) GBA1PIK3CDCHRM2CHRM4CHRM5
SCHEMBL28740068 0.91 PIK3CD (0.51) GBA1PIK3CDCHRM2CHRM4CHRM5
Trifluoromethanesulfonic Acid SCHEMBL29252133 0.90 GBA1 (0.42) GBA1PIK3CDCHRM2CHRM4CHRM5
Bromide SCHEMBL27981325 0.89 PIK3CD (0.50) GBA1PIK3CDCHRM2CHRM4CHRM5
SCHEMBL4653587 0.89 PIK3CD (0.53) GBA1PIK3CDCHRM2CHRM4CHRM5
Acetic Acid SCHEMBL29252348 0.87 GBA1 (0.46) GBA1PIK3CDCHRM2CHRM4CHRM5
SCHEMBL20894928 0.84 PIK3CD (0.55) GBA1PIK3CDCHRM2CHRM4CHRM5
SCHEMBL28354948 0.80 GBA1 (0.44) GBA1PIK3CDCHRM2CHRM4CHRM5
SCHEMBL15560788 0.80 GBA1 (0.43) GBA1PIK3CDCHRM2CHRM4CHRM5
SCHEMBL20894926 0.77 PIK3CD (0.58) PIK3CDCHRM2CHRM4CHRM5CHRM1

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-117999475-A Electrochemical gas sensor and electrolyte for electrochemical gas sensor 德尔格安全股份两合公司 2024-05-07 CN disclosed