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SCHEMBL25429394

SCHEMBL25429394

O=c1cc[nH]c2cc(-c3cccnc3Oc3ccc(C(F)(F)F)cc3)ccc12

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.52
▸ PDE10A Q9Y233 6/20 0.43
▸ TRPV1 Q8NER1 3/20 0.40
▸ FEN1 P39748 2/20 0.39
▸ ELANE P08246 1/20 0.38
▸ TRPA1 O75762 1/20 0.38

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
SCHEMBL25430881 0.87 PDE10A (0.42) PDE10AFEN1ELANETRPA1
SCHEMBL25429893 0.85 HSD17B10 (0.54) HSD17B10PDE10ATRPV1TRPA1
SCHEMBL25427626 0.84 HSD17B10 (0.51) HSD17B10TRPV1TRPA1
SCHEMBL25429720 0.84 HSD17B10 (0.55) HSD17B10TRPV1
SCHEMBL25431622 0.80 HSD17B10 (0.51) HSD17B10TRPV1
SCHEMBL25430635 0.80 HSD17B10 (0.51) HSD17B10TRPV1
SCHEMBL25430011 0.79 TTBK1 (0.41) HSD17B10PDE10ATRPV1ELANE
SCHEMBL25430903 0.78 ALOX5AP (0.49) PDE10AFEN1
SCHEMBL25429901 0.75 PDE10A (0.45) PDE10ATRPV1FEN1
SCHEMBL30544141 0.73 PDE10A (0.45) PDE10ATRPV1FEN1

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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