SCHEMBL24317348

SCHEMBL24317348

COc1cccc2c1CN(I)CC2

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.56
DRD3 P35462 2/20 0.56
DRD1 P21728 1/20 0.56
DRD5 P21918 1/20 0.56
CHRM2 P08172 2/20 0.45
CHRM1 P11229 2/20 0.45
CHRM3 P20309 2/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ABHD6 Q9BV23 2/20 0.43

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
SCHEMBL23975696 0.88 DRD2 (0.62) DRD2DRD3DRD1DRD5CHRM2
SCHEMBL26268651 0.87 ABHD6 (0.52) DRD2DRD3DRD1DRD5CHRM2
SCHEMBL5568684 0.81 DRD1 (0.77) DRD2DRD3DRD1DRD5
SCHEMBL27010059 0.78 DRD2 (0.54) DRD2DRD3DRD1DRD5CHRM2
SCHEMBL19957848 0.77 ALDH1A1 (0.44) DRD2DRD3DRD1DRD5ALDH1A1
SCHEMBL23976082 0.77 DRD1 (0.76) DRD2DRD3DRD1DRD5
SCHEMBL14067213 0.76 PDE4D (0.59) DRD2DRD3DRD1DRD5CHRM2
SCHEMBL30641865 0.75 DRD2 (0.51) DRD2DRD3DRD1DRD5ABHD6
SCHEMBL5452590 0.75 DRD2 (0.51) DRD2DRD3DRD1DRD5ALDH1A1
SCHEMBL14067047 0.75 NOTUM (0.58) DRD2DRD3DRD1DRD5ABHD6

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-2022081927-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C4 THERAPEUTICS, INC. (US) 2022-04-21 WO disclosed