SCHEMBL25433941

SCHEMBL25433941

O=c1ccn(CCCO)c2cc(-c3nccnc3Oc3ccc(C(F)(F)F)cc3)ccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 5/20 0.35
▸ LMNA P02545 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ PPARD Q03181 3/20 0.34
▸ PPARA Q07869 2/20 0.34
▸ CCNB2 O95067 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ CCNA1 P78396 1/20 0.34
▸ CCNB3 Q8WWL7 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TRPV1 Q8NER1 3/20 0.34
▸ SCN9A Q15858 2/20 0.33
▸ GRIN1 Q05586 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 0.88 SCN9A (0.42) PDE10ACCNB2CDK1CCNB1CCNA2
SCHEMBL30544047 0.88 SCN9A (0.42) PDE10ACCNB2CDK1CCNB1CCNA2
SCHEMBL25430689 0.85 PDE10A (0.42) PDE10ATRPV1
SCHEMBL25952320 0.81 SCN9A (0.44) TRPV1SCN9ASCN8ASCN10A
SCHEMBL30544057 0.81 SCN9A (0.44) TRPV1SCN9ASCN8ASCN10A
SCHEMBL25428812 0.76 PDE10A (0.38) PDE10ASCN9A
SCHEMBL25429484 0.75 SCN8A (0.43) TRPV1SCN9ASCN8ASCN10A
SCHEMBL25427800 0.74 SCN9A (0.39) PDE10ASCN9A
SCHEMBL25431565 0.73 GSK3B (0.39) PDE10ACCNB2CDK1CCNB1CCNA2
SCHEMBL25429893 0.72 HSD17B10 (0.54) PDE10ATRPV1

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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