SCHEMBL23975696

SCHEMBL23975696

COc1cccc2c1CCN(I)CC2

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.62
DRD3 P35462 4/20 0.62
DRD1 P21728 1/20 0.62
DRD5 P21918 1/20 0.62
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
ABHD6 Q9BV23 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
CHRM2 P08172 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46
DRD4 P21917 2/20 0.45
NOTUM Q6P988 1/20 0.45

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
SCHEMBL26268651 0.88 ABHD6 (0.52) DRD2DRD3DRD1DRD5ABHD6
SCHEMBL24317348 0.88 DRD2 (0.56) DRD2DRD3DRD1DRD5ABHD6
SCHEMBL23976082 0.86 DRD1 (0.76) DRD2DRD3DRD1DRD5HDAC1
SCHEMBL25943620 0.83 DRD2 (0.58) DRD2DRD3DRD1DRD5HDAC1
SCHEMBL24702129 0.80 DRD2 (0.55) DRD2DRD3DRD1DRD5HDAC1
SCHEMBL24702156 0.80 DRD2 (0.55) DRD2DRD3DRD1DRD5HDAC1
SCHEMBL11736393 0.79 DRD1 (0.67) DRD2DRD3DRD1DRD5ABHD6
SCHEMBL5568684 0.79 DRD1 (0.77) DRD2DRD3DRD1DRD5ADRA2A
SCHEMBL19133719 0.79 DRD2 (0.58) DRD2DRD3DRD1DRD5CHRM2
Ammonia Solution, Strong SCHEMBL7667257 0.77 DRD2 (0.56) DRD2DRD3DRD1DRD5CHRM2

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-2021222483-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-11-04 WO disclosed
WO-2021222363-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-11-04 WO disclosed