SCHEMBL25430613

SCHEMBL25430613

O=c1ccn(CCO)c2nc(-c3cccnc3Oc3ccc(C(F)(F)F)cc3)ccc12

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TEK Q02763 3/20 0.35
▸ KDR P35968 2/20 0.35
▸ SCN8A Q9UQD0 1/20 0.35
▸ SCN10A Q9Y5Y9 1/20 0.35
▸ SCN9A Q15858 1/20 0.34
▸ PDE1A P54750 1/20 0.34
▸ PDE1B Q01064 1/20 0.34
▸ PDE1C Q14123 1/20 0.34
▸ PDE10A Q9Y233 4/20 0.34
▸ FLT3 P36888 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ P2RY1 P47900 1/20 0.33

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
SCHEMBL25431565 0.95 GSK3B (0.39) TEKKDRSCN9APDE1APDE1B
SCHEMBL25430936 0.83 GSK3B (0.35) PDE10A
SCHEMBL25428450 0.77 SCN9A (0.42) SCN9APDE10AKCNH2
SCHEMBL30544047 0.77 SCN9A (0.42) SCN9APDE10AKCNH2
SCHEMBL25430011 0.74 TTBK1 (0.41) TEKKDRPDE10A
SCHEMBL25431696 0.73 GRM2 (0.38) SCN9A
SCHEMBL25427800 0.72 SCN9A (0.39) SCN9APDE10AKCNH2
SCHEMBL25429484 0.69 SCN8A (0.43) SCN8ASCN10ASCN9A
SCHEMBL20394227 0.67 PDE10A (0.58) PDE10A
SCHEMBL20394208 0.66 PDE10A (0.49) PDE10AP2RY1

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
WO-2023146511-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
WO-2023146511-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
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