SCHEMBL25340771

SCHEMBL25340771

CCP(=O)(CC)c1ccc(-c2cccnc2Sc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ KLRK1 P26718 1/20 0.37
▸ MICA Q29983 1/20 0.37
▸ RAET1L Q5VY80 1/20 0.37
▸ TOP1 P11387 2/20 0.37
▸ FFAR4 Q5NUL3 2/20 0.36
▸ GRM5 P41594 1/20 0.35
▸ TRPV1 Q8NER1 6/20 0.35
▸ UTRN P46939 1/20 0.34
▸ KIF11 P52732 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ AKT1 P31749 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
SCHEMBL25340452 0.88 TOP1 (0.38) SLC6A2SLC6A4KLRK1MICARAET1L
SCHEMBL25341313 0.83 TOP1 (0.36) SLC6A2SLC6A4KLRK1MICARAET1L
SCHEMBL25340568 0.78 PDE10A (0.43) —
SCHEMBL25341521 0.75 FFAR4 (0.38) KLRK1MICARAET1LTOP1FFAR4
SCHEMBL25374988 0.75 ADORA2A (0.44) TOP1GRM5KIF11SMN1; SMN2
SCHEMBL25379007 0.74 GPBAR1 (0.44) SMN1; SMN2
SCHEMBL25975846 0.74 TOP1 (0.38) SLC6A2SLC6A4KLRK1MICARAET1L
SCHEMBL25376949 0.73 GRM5 (0.39) SLC6A2SLC6A4TOP1GRM5TRPV1
SCHEMBL25379729 0.73 GRM5 (0.37) SLC6A2SLC6A4TOP1GRM5SMN1; SMN2
SCHEMBL25428400 0.73 PTGIR (0.36) KLRK1MICARAET1LTOP1FFAR4

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-2023146513-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
WO-2023146513-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
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