SCHEMBL29549271

SCHEMBL29549271

OCCOCCN1CCN(C2=Nc3ccc(O)cc3Sc3ccccc32)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.81
DRD2 P14416 2/20 0.81
LMNA P02545 1/20 0.81
CHRM2 P08172 1/20 0.81
CHRM4 P08173 1/20 0.81
CYP3A4 P08684 1/20 0.81
HTR1A P08908 1/20 0.81
CHRM5 P08912 1/20 0.81
CHRM1 P11229 1/20 0.81
ADRA2B P18089 1/20 0.81
ADRA2C P18825 1/20 0.81
CHRM3 P20309 1/20 0.81
DRD1 P21728 1/20 0.81
DRD4 P21917 1/20 0.81
HRH2 P25021 1/20 0.81
ADRA1D P25100 1/20 0.81
HTR2A P28223 1/20 0.81
HTR2C P28335 1/20 0.81
HTR7 P34969 1/20 0.81
ADRA1A P35348 1/20 0.81

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
SCHEMBL141875 1.00 ADRA2A (0.81) ADRA2ADRD2LMNACHRM2CHRM4
SCHEMBL12260186 0.92 DRD2 (0.81) ADRA2ADRD2LMNACHRM2CHRM4
SCHEMBL17509819 0.91 DRD2 (0.67) ADRA2ADRD2LMNACHRM2CHRM4
SCHEMBL20959758 0.90 CHRM1 (0.66) ADRA2ADRD2LMNACHRM2CHRM4
Quetiapine SCHEMBL29360153 0.90 DRD2 (1.00) ADRA2ADRD2LMNACHRM2CHRM4
Quetiapine SCHEMBL4283801 0.90 DRD2 (1.00) ADRA2ADRD2LMNACHRM2CHRM4
Quetiapine SCHEMBL4638768 0.90 DRD2 (1.00) ADRA2ADRD2LMNACHRM2CHRM4
Quetiapine SCHEMBL7932 0.90 DRD2 (1.00) ADRA2ADRD2LMNACHRM2CHRM4
SCHEMBL2615342 0.89 DRD2 (0.80) ADRA2ADRD2LMNACHRM2CHRM4
Quetiapine SCHEMBL392703 0.89 DRD2 (0.98) ADRA2ADRD2LMNACHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240345106-A1 Chronic Disease Management Test to Inform Clinical Care of Patients with Chronic Conditions AEGIS SCIENCES CORPORATION (US) 2024-10-17 US disclosed
EP-4419255-A1 READY-TO-CONSTITUTE ANALYTICAL PLATFORMS FOR CHEMICAL ANALYSES AND QUANTIFICATION OF ANALYTES IN BIOLOGICAL SAMPLES Pinpoint Testing, LLC (US) 2024-08-28 EP disclosed
EP-4221512-A1 COMPOSITIONS, KITS AND METHODS FOR COLLECTING ANALYTE IN A SALIVA SAMPLE Decima Diagnostics, LLC (US) 2023-08-09 EP disclosed
WO-2023069732-A1 READY-TO-CONSTITUTE ANALYTICAL PLATFORMS FOR CHEMICAL ANALYSES AND QUANTIFICATION OF ANALYTES IN BIOLOGICAL SAMPLES PINPOINT TESTING, LLC (US) 2023-04-27 WO disclosed
WO-2022072467-A1 COMPOSITIONS, KITS AND METHODS FOR COLLECTING ANALYTE IN A SALIVA SAMPLE DECIMADX, LLC (US) 2022-04-07 WO disclosed