SCHEMBL23975613

SCHEMBL23975613

COc1ccc2c(c1)CCN(I)CC2

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 9/20 0.66
DRD5 P21918 8/20 0.66
DRD2 P14416 8/20 0.66
DRD3 P35462 8/20 0.66
DRD4 P21917 5/20 0.63
ESR1 P03372 1/20 0.54
ESR2 Q92731 1/20 0.54
NOTUM Q6P988 1/20 0.49
CHRNA7 P36544 1/20 0.49
ABHD6 Q9BV23 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47

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
SCHEMBL3698679 0.86 DRD1 (0.86) DRD1DRD5DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL10702384 0.85 DRD1 (0.83) DRD1DRD5DRD2DRD3DRD4
SCHEMBL2607471 0.83 DRD1 (0.62) DRD1DRD5DRD2DRD3DRD4
SCHEMBL15025091 0.83 DRD1 (0.64) DRD1DRD5DRD2DRD3DRD4
SCHEMBL14340583 0.81 DRD1 (0.88) DRD1DRD5DRD2DRD3DRD4
SCHEMBL29515933 0.81 DRD1 (0.88) DRD1DRD5DRD2DRD3DRD4
SCHEMBL15088517 0.80 HRH3 (0.61) DRD1DRD5DRD2DRD3DRD4
SCHEMBL11823744 0.80 DRD1 (0.85) DRD1DRD5DRD2DRD3DRD4
SCHEMBL24702127 0.80 DRD1 (0.60) DRD1DRD5DRD2DRD3DRD4
SCHEMBL11819711 0.80 DRD1 (0.85) DRD1DRD5DRD2DRD3DRD4

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