SCHEMBL25428812

SCHEMBL25428812

O=c1ccn(CCCO)c2cc(-c3cccnc3Oc3ccc(S(F)(F)(F)(F)F)cc3)ccc12

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 9/20 0.38
▸ SCN9A Q15858 1/20 0.35
▸ FEN1 P39748 2/20 0.34
▸ GRM2 Q14416 1/20 0.34
▸ METAP2 P50579 1/20 0.33
▸ FFAR4 Q5NUL3 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
SCHEMBL25428450 0.89 SCN9A (0.42) PDE10ASCN9AMETAP2
SCHEMBL30544047 0.89 SCN9A (0.42) PDE10ASCN9AMETAP2
SCHEMBL25952586 0.88 PDE10A (0.34) PDE10AFEN1
SCHEMBL25430936 0.83 GSK3B (0.35) PDE10A
SCHEMBL25374074 0.81 PDE10A (0.44) PDE10A
SCHEMBL25430296 0.77 PDE10A (0.41) PDE10ASCN9AFEN1
SCHEMBL25433941 0.76 PDE10A (0.35) PDE10ASCN9A
SCHEMBL25427800 0.75 SCN9A (0.39) PDE10ASCN9AFEN1METAP2
SCHEMBL30544057 0.75 SCN9A (0.44) SCN9AFFAR4
SCHEMBL25952320 0.75 SCN9A (0.44) SCN9AFFAR4

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
Send feedback