SCHEMBL31663380

SCHEMBL31663380

[2H]C([2H])(N)c1cccc2[nH]ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.47
DAO P14920 1/20 0.44
CYP3A4 P08684 2/20 0.42
HTR6 P50406 2/20 0.42
MPO P05164 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2A6 P11509 1/20 0.42
NFKB1 P19838 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR7 P34969 1/20 0.42
CTSK P43235 1/20 0.42
CYP2A13 Q16696 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
MAPK1 P28482 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41

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
SCHEMBL2245672 0.84 AHR (0.50) AHRDAOCYP3A4HTR6MPO
SCHEMBL29364833 0.84 AHR (0.50) AHRDAOCYP3A4HTR6MPO
Hydrochloric Acid SCHEMBL3869136 0.82 AHR (0.48) AHRDAOCYP3A4HTR6MPO
SCHEMBL2239944 0.81 HTR2A (0.59) AHRDAOCYP3A4HTR6MPO
SCHEMBL30776660 0.81 HTR2A (0.59) AHRDAOCYP3A4HTR6MPO
SCHEMBL28264220 0.78 MPO (0.47) AHRDAOCYP3A4HTR6MPO
SCHEMBL8655960 0.77 MPO (0.46) AHRDAOCYP3A4HTR6MPO
SCHEMBL8051283 0.76 AHR (0.50) AHRDAOCYP3A4HTR6CYP1A2
SCHEMBL951816 0.76 AHR (0.50) AHRDAOCYP3A4HTR6MPO
SCHEMBL38665028 0.76 DAO (0.50) AHRDAOCYP3A4CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025149622-A1 WNK1 INHIBITORS DANIA THERAPEUTICS APS (DK) 2025-07-17 WO disclosed