SCHEMBL25956089

SCHEMBL25956089

CC(C)(C)OC(=O)NCCCn1ccc(=O)c2ccc(-c3ccccc3Oc3ccc(C(F)(F)F)cc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.40
▸ CCNB2 O95067 1/20 0.40
▸ PRKCB P05771 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ LYN P07948 1/20 0.40
▸ CCNB1 P14635 1/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ RPS6KA3 P51812 1/20 0.40
▸ CCNA1 P78396 1/20 0.40
▸ CCNB3 Q8WWL7 1/20 0.40
▸ DYRK1A Q13627 1/20 0.38
▸ CAMK2D Q13557 3/20 0.38
▸ PDK2 Q15119 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ DRD2 P14416 2/20 0.38
▸ P2RY14 Q15391 3/20 0.37
▸ CNR2 P34972 2/20 0.37
▸ PLK1 P53350 2/20 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
SCHEMBL30544106 1.00 PDPK1 (0.40) PDPK1CCNB2PRKCBCDK1LYN
SCHEMBL25429273 0.90 NOD2 (0.37) NOD2NOD1TRPV1
SCHEMBL30544057 0.84 SCN9A (0.44) TRPV1
SCHEMBL25952320 0.84 SCN9A (0.44) TRPV1
SCHEMBL30544026 0.83 TRPV1 (0.39) CAMK2DTRPV1
SCHEMBL25428113 0.83 TRPV1 (0.39) CAMK2DTRPV1
SCHEMBL25429484 0.83 SCN8A (0.43) TRPV1
SCHEMBL25429756 0.81 ICMT (0.39) TRPV1
SCHEMBL30544045 0.81 ICMT (0.39) TRPV1
SCHEMBL25954187 0.79 GRIN2B (0.50) TRPV1

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
Send feedback