SCHEMBL27365980

SCHEMBL27365980

Ic1ccc(N2CCN(CC3CCNCC3)CC2)nn1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 4/20 0.40
CACNA2D1 P54289 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNB1 Q02641 1/20 0.40
PARP1 P09874 2/20 0.40
CASP1 P29466 1/20 0.39
CASP4 P49662 1/20 0.39
CASP5 P51878 1/20 0.39
OGA O60502 1/20 0.36
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
TRPC5 Q9UL62 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
SCHEMBL3826430 0.90 CASP1 (0.43) PARP1CASP1CASP4CASP5OGA
SCHEMBL3825095 0.86 CASP1 (0.53) PARP1CASP1CASP4CASP5OGA
SCHEMBL27367621 0.83 HRH3 (0.41) PARP1CASP1CASP4CASP5OGA
SCHEMBL30139760 0.78 CACNA2D1 (0.43) CACNA2D1CACNA1BCACNB1PARP1CASP1
SCHEMBL3066937 0.77 BPTF (0.62) BPTFCASP1CASP4CASP5OGA
SCHEMBL27366890 0.75 DRD2 (0.46) BPTFCACNA2D1CACNA1BCACNB1PARP1
SCHEMBL27366886 0.74 LTA4H (0.49) CACNA2D1CACNA1BCACNB1DRD2DRD3
SCHEMBL20255203 0.74 PDE10A (0.40) BPTFOGA
SCHEMBL23875271 0.73 HPGDS (0.46) CACNA2D1CACNA1BCACNB1PARP1DRD2
SCHEMBL5654761 0.72 BPTF (0.56) BPTFCASP1CASP4CASP5

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-2024054591-A1 RAPIDLY ACCELERATED FIBROSARCOMA (RAF) DEGRADING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2024-03-14 WO disclosed