SCHEMBL25428450

SCHEMBL25428450

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 3/20 0.42
▸ PDE10A Q9Y233 8/20 0.39
▸ GSK3B P49841 2/20 0.38
▸ CCNB2 O95067 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ CCNB1 P14635 1/20 0.38
▸ CCNA2 P20248 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CCNA1 P78396 1/20 0.38
▸ CCNB3 Q8WWL7 1/20 0.38
▸ SCN5A Q14524 2/20 0.38
▸ PRKCB P05771 1/20 0.37
▸ METAP2 P50579 2/20 0.37
▸ KCNH2 Q12809 1/20 0.36

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
SCHEMBL30544047 1.00 SCN9A (0.42) SCN9APDE10AGSK3BCCNB2CDK1
SCHEMBL25428812 0.89 PDE10A (0.38) SCN9APDE10AMETAP2
SCHEMBL25433941 0.88 PDE10A (0.35) SCN9APDE10AGSK3BCCNB2CDK1
SCHEMBL25952320 0.86 SCN9A (0.44) SCN9ASCN5A
SCHEMBL30544057 0.86 SCN9A (0.44) SCN9ASCN5A
SCHEMBL25427800 0.86 SCN9A (0.39) SCN9APDE10AMETAP2KCNH2
SCHEMBL25431565 0.82 GSK3B (0.39) SCN9APDE10AGSK3BCCNB2CDK1
SCHEMBL25429484 0.81 SCN8A (0.43) SCN9ASCN5A
SCHEMBL25952586 0.78 PDE10A (0.34) PDE10AGSK3BPRKCBKCNH2
SCHEMBL25430926 0.78 SCN9A (0.37) SCN9AMETAP2KCNH2

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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