SCHEMBL25955644

SCHEMBL25955644

CN1CCOc2ccc(-c3cccnc3Oc3ccc(C(F)(F)F)cc3)cc2S1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.43
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37
KCNH2 Q12809 3/20 0.36
SCN9A Q15858 2/20 0.36
SCN1A P35498 1/20 0.36
SCN4A P35499 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
GPR142 Q7Z601 2/20 0.35
FEN1 P39748 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL25340004 0.82 PDE10A (0.40) PDE10AKCNH2SCN9ASCN1ASCN4A
SCHEMBL25952094 0.71 PDE10A (0.40) PDE10AKCNH2SCN9ASCN1ASCN4A
SCHEMBL30544023 0.70 PDE10A (0.48) PDE10ASCN9A
SCHEMBL25952769 0.70 PDE10A (0.48) PDE10ASCN9A
SCHEMBL25338851 0.69 TRPV1 (0.50) PDE10AFEN1
SCHEMBL30543994 0.69 SCN9A (0.35) PDE10AKCNH2SCN9ASCN1ASCN4A
SCHEMBL25955647 0.69 PDE10A (0.40) PDE10AFEN1
SCHEMBL20394471 0.68 CREBBP (0.40) ALDH1A1MAPTATM
SCHEMBL25973899 0.68 FEN1 (0.51) PDE10AFEN1
SCHEMBL20394349 0.68 SCN9A (0.46) PDE10ASCN9ASCN5A

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