SCHEMBL30867169

SCHEMBL30867169

[2H]N(CCc1c[nH]c2cc(OC(F)(F)F)ccc12)c1nc(Cl)nc2scnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.39
CDK2 P24941 1/20 0.38
GOT1 P17174 1/20 0.36
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
IP6K1 Q92551 2/20 0.34
PTGDR Q13258 1/20 0.33
HTR2A P28223 3/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
IP6K3 Q96PC2 1/20 0.32
IP6K2 Q9UHH9 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HTR6 P50406 2/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2C P28335 1/20 0.31
HTR7 P34969 1/20 0.31

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
SCHEMBL27320098 0.92 CDK2 (0.43) TRPV1CDK2GOT1MTNR1AMTNR1B
SCHEMBL30867201 0.92 CDK2 (0.43) TRPV1CDK2GOT1MTNR1AMTNR1B
SCHEMBL27320844 0.76 CDK2 (0.39) TRPV1CDK2MTNR1AMTNR1BIP6K1
SCHEMBL30867174 0.76 CDK2 (0.39) TRPV1CDK2MTNR1AMTNR1BIP6K1
SCHEMBL30867213 0.75 CDK2 (0.41) TRPV1CDK2GOT1IP6K1PTGDR
SCHEMBL29244542 0.75 CDK2 (0.46) TRPV1CDK2GOT1MTNR1AMTNR1B
SCHEMBL27320687 0.74 HTR2A (0.54) MTNR1AHTR2AMEN1KMT2AMAPT
SCHEMBL30867150 0.74 HTR2A (0.54) MTNR1AHTR2AMEN1KMT2AMAPT
SCHEMBL30867135 0.74 HTT (0.49) IP6K1HTR2AMEN1KMT2AHTR6
SCHEMBL30867137 0.74 HTT (0.49) IP6K1HTR2AMEN1KMT2AHTR6

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 2 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
WO-2024076300-A1 COMPOUNDS USEFUL IN MODULATION OF AHR SIGNALLING JAGUAHR THERAPEUTICS PTE LTD (SG) 2024-04-11 WO disclosed