SCHEMBL24824099

SCHEMBL24824099

CNc1ccc(N2CCC(OC)C2)c(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 3/20 0.35
USP30 Q70CQ3 1/20 0.34
PIN1 Q13526 3/20 0.33
ACACB O00763 3/20 0.33
FASN P49327 1/20 0.33
CCR4 P51679 1/20 0.32
PDE1B Q01064 1/20 0.32
SNCA P37840 1/20 0.32
SCD O00767 2/20 0.32
SCD5 Q86SK9 2/20 0.32
UTS2R Q9UKP6 2/20 0.32

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
SCHEMBL13538964 0.84 ACACB (0.43) USP30ACACB
SCHEMBL7949976 0.77 CARM1 (0.37) USP30PDE1BSCD5
SCHEMBL13538970 0.76 ACACB (0.38) PIN1ACACBCCR4
SCHEMBL6104617 0.70 CDC7 (0.38) USP30ACACBFASNPDE1B
SCHEMBL30989098 0.69 NOTUM (0.42) USP30ACACBPDE1B
SCHEMBL28701863 0.69 CACNA2D1 (0.34) ACACBSNCA
SCHEMBL31128239 0.69 PDE10A (0.35) TYK2USP30FASNPDE1B
SCHEMBL31128241 0.69 PDE10A (0.35) TYK2USP30FASNPDE1B
SCHEMBL28048057 0.68 DRD2 (0.46) ACACB
SCHEMBL22272972 0.68 TYK2 (0.55) TYK2ACACB

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-2022268154-A1 NEW ANTI-HEPATITIS B COMPOUND 上海齐鲁制药研究中心有限公司 2022-12-29 WO disclosed