SCHEMBL30867192

SCHEMBL30867192

Cc1[nH]c2ccc(Cl)cc2c1CCO

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.68
HTR6 P50406 2/20 0.68
ADRA2A P08913 1/20 0.68
ADRA2B P18089 1/20 0.68
ADRA2C P18825 1/20 0.68
HTR2B P41595 1/20 0.68
ALDH1A1 P00352 3/20 0.61
HTT P42858 3/20 0.61
TSHR P16473 1/20 0.61
POLB P06746 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPK1 P28482 4/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
HTR1D P28221 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTR3A P46098 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL28750432 0.84 HTR6 (0.68) HTR7HTR6ADRA2AADRA2BADRA2C
SCHEMBL23657217 0.83 HTR6 (0.67) HTR7HTR6ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL892350 0.83 HTR6 (0.67) HTR7HTR6ADRA2AADRA2BADRA2C
SCHEMBL18509842 0.82 ADRA2A (0.62) HTR7HTR6ADRA2AADRA2BADRA2C
SCHEMBL24358704 0.81 HTR6 (0.65) HTR7HTR6ADRA2AADRA2BADRA2C
SCHEMBL1817642 0.81 HTR6 (1.00) HTR7HTR6ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL23649325 0.81 HTR6 (0.65) HTR7HTR6ADRA2AADRA2BADRA2C
SCHEMBL23612421 0.81 ALDH1A1 (0.61) HTR7HTR6ADRA2AADRA2BADRA2C
SCHEMBL31534095 0.81 ALDH1A1 (0.61) HTR7HTR6ADRA2AADRA2BADRA2C
Cyanide SCHEMBL28561199 0.80 HTR6 (0.63) HTR7HTR6ADRA2AADRA2BADRA2C

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