SCHEMBL29252011

SCHEMBL29252011

CCCCCCCCCCN1CCC(CCCC)CC1.CS(=O)(=O)O

nearest known ligand 0.57

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 20)

geneUniProtsupporting neighboursconfidence
CHRM1 known ✓ P11229 2/20 0.48
HTR1A known ✓ P08908 1/20 0.48
ADRA2A known ✓ P08913 1/20 0.48
DRD2 known ✓ P14416 1/20 0.48
ADRA2B known ✓ P18089 1/20 0.48
DRD4 known ✓ P21917 1/20 0.48
ADRA1D known ✓ P25100 1/20 0.48
ADRA1A known ✓ P35348 1/20 0.48
ADRA1B known ✓ P35368 1/20 0.48
GNAO1 P09471 9/20 0.57
GNAI3 P08754 8/20 0.50
GNAI1 P63096 8/20 0.50
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
CHRM3 P20309 1/20 0.48
HRH1 P35367 1/20 0.48
KCNH2 Q12809 2/20 0.48
BCHE P06276 2/20 0.46
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL29252021 1.00 GNAO1 (0.57) GNAO1GNAI3GNAI1CHRM1CHRM2
SCHEMBL29252351 1.00 GNAO1 (0.57) GNAO1GNAI3GNAI1CHRM1CHRM2
SCHEMBL29251672 1.00 GNAO1 (0.57) GNAO1GNAI3GNAI1CHRM1CHRM2
SCHEMBL29252366 1.00 GNAO1 (0.57) GNAO1GNAI3GNAI1CHRM1CHRM2
SCHEMBL29252136 1.00 GNAO1 (0.57) GNAO1GNAI3GNAI1CHRM1CHRM2
SCHEMBL29252608 1.00 GNAO1 (0.57) GNAO1GNAI3GNAI1CHRM1CHRM2
SCHEMBL29252746 0.98 GNAO1 (0.55) GNAO1GNAI3GNAI1CHRM1CHRM2
SCHEMBL31318589 0.94 GNAO1 (0.57) GNAO1GNAI3GNAI1KCNH2BCHE
SCHEMBL31318582 0.94 GNAO1 (0.57) GNAO1GNAI3GNAI1KCNH2BCHE
SCHEMBL31318597 0.94 GNAO1 (0.57) GNAO1GNAI3GNAI1KCNH2BCHE

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
US-20240393290-A1 ELECTROCHEMICAL GAS SENSOR AND ELECTROLYTE FOR AN ELECTROCHEMICAL GAS SENSOR Dräger Safety AG & Co. KGaA (DE) 2024-11-28 US disclosed
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
WO-2023046704-A1 ELECTROCHEMICAL GAS SENSOR AND ELECTROLYTE FOR AN ELECTROCHEMICAL GAS SENSOR Dräger Safety AG & Co. KGaA (DE) 2023-03-30 WO disclosed