SCHEMBL31069723

SCHEMBL31069723

O=C1c2cc(Br)cnc2CCCN1Cc1cc(OC(F)(F)F)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH1 Q13686 1/20 0.37
SCN1A P35498 1/20 0.37
SCN4A P35499 1/20 0.37
KCNH2 Q12809 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
SCN8A Q9UQD0 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
PRMT5 O14744 2/20 0.37
WDR77 Q9BQA1 2/20 0.37
RORC P51449 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
GRM2 Q14416 2/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA3 P34903 1/20 0.35
CHRM5 P08912 5/20 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
SCHEMBL22470576 0.94 SCN1A (0.38) ALKBH1SCN1ASCN4AKCNH2SCN5A
SCHEMBL29714020 0.94 SCN1A (0.38) ALKBH1SCN1ASCN4AKCNH2SCN5A
SCHEMBL31069724 0.86 ALKBH1 (0.38) ALKBH1SCN1ASCN4AKCNH2SCN5A
SCHEMBL30483666 0.85 SCN1A (0.44) ALKBH1SCN1ASCN4AKCNH2SCN5A
SCHEMBL25380407 0.83 SCN1A (0.49) ALKBH1SCN1ASCN4AKCNH2SCN5A
SCHEMBL31069731 0.83 SCN1A (0.49) ALKBH1SCN1ASCN4AKCNH2SCN5A
SCHEMBL31069716 0.83 CACNA2D1 (0.45) ALKBH1SCN1ASCN4AKCNH2SCN5A
SCHEMBL31069727 0.82 GRM2 (0.37) ALKBH1SCN1ASCN4AKCNH2SCN5A
SCHEMBL25438155 0.82 GRM2 (0.37) ALKBH1SCN1ASCN4AKCNH2SCN5A
SCHEMBL22470584 0.79 TNIK (0.46) HRH3TNIK

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
CN-118556044-A Fused heterocyclic compound, preparation method thereof and application thereof in medicine 江苏恒瑞医药股份有限公司 2024-08-27 CN disclosed