SCHEMBL30867167

SCHEMBL30867167

Clc1nc(OCCc2c[nH]c3ncccc23)c2ncsc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.43
MTNR1A P48039 1/20 0.40
MET P08581 1/20 0.39
CCNE1 P24864 7/20 0.36
CDK2 P24941 7/20 0.36
DRD2 P14416 5/20 0.36
DRD4 P21917 5/20 0.36
DRD3 P35462 5/20 0.36
HTR1A P08908 2/20 0.36
HTR2A P28223 2/20 0.36
HTR7 P34969 2/20 0.36
CACNA1F O60840 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36

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
SCHEMBL27319316 1.00 GPR84 (0.43) GPR84MTNR1AMETCCNE1CDK2
SCHEMBL27318935 0.85 SSTR2 (0.43) GPR84DRD2HTR1AHTR2AHTR7
SCHEMBL30867180 0.85 SSTR2 (0.43) GPR84DRD2HTR1AHTR2AHTR7
SCHEMBL31534078 0.82 GPR84 (0.39) GPR84MTNR1AMETCCNE1CDK2
SCHEMBL27319328 0.82 GPR84 (0.39) GPR84MTNR1AMETCCNE1CDK2
SCHEMBL27318895 0.81 MTNR1A (0.45) GPR84MTNR1AMETCCNE1CDK2
SCHEMBL30867178 0.81 MTNR1A (0.45) GPR84MTNR1AMETCCNE1CDK2
SCHEMBL31534081 0.80 MTNR1A (0.37) GPR84MTNR1AMETCCNE1CDK2
SCHEMBL27319322 0.80 MTNR1A (0.37) GPR84MTNR1AMETCCNE1CDK2
SCHEMBL30867170 0.79 HTR2A (0.45) GPR84MTNR1ADRD2DRD3HTR1A

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
EP-4598931-A1 COMPOUNDS USEFUL IN MODULATION OF AHR SIGNALLING JAGUAHR THERAPEUTICS PTE LTD (SG) 2025-08-13 EP disclosed
CN-119948035-A Compounds useful for modulating AhR signaling 捷豹治疗有限公司 2025-05-06 CN disclosed
WO-2024076300-A1 COMPOUNDS USEFUL IN MODULATION OF AHR SIGNALLING JAGUAHR THERAPEUTICS PTE LTD (SG) 2024-04-11 WO disclosed