SCHEMBL30867141

SCHEMBL30867141

Cc1ncc(-c2nc(OCCc3c[nH]c4ccc(Cl)cc34)c3ncsc3n2)s1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
SLC6A4 P31645 2/20 0.37
IP6K1 Q92551 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
HTR1A P08908 4/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
GFER P55789 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAP3K14 Q99558 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL27320634 1.00 HTR2A (0.38) HTR2ATRPM8SLC6A4IP6K1GPR84
SCHEMBL30867155 0.90 MPO (0.40) HTR2ATRPM8SLC6A4HTR1A
SCHEMBL27320599 0.90 MPO (0.40) HTR2ATRPM8SLC6A4HTR1A
SCHEMBL30867131 0.87 HTR2A (0.39) HTR2ATRPM8SLC6A4IP6K1GPR84
SCHEMBL27320677 0.87 HTR2A (0.39) HTR2ATRPM8SLC6A4IP6K1GPR84
SCHEMBL27320629 0.85 SLC6A4 (0.41) HTR2ATRPM8SLC6A4GPR84HTR1A
SCHEMBL30867170 0.83 HTR2A (0.45) HTR2ATRPM8SLC6A4IP6K1GPR84
SCHEMBL27319867 0.83 HTR2A (0.45) HTR2ATRPM8SLC6A4IP6K1GPR84
SCHEMBL30867161 0.82 SNCA (0.41) HTR2ATRPM8SLC6A4IP6K1GPR84
SCHEMBL27320810 0.82 SNCA (0.41) HTR2ATRPM8SLC6A4IP6K1GPR84

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