SCHEMBL23975579

SCHEMBL23975579

COc1ccc2c(c1)CCN2I

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.58
DRD1 P21728 7/20 0.53
DRD5 P21918 6/20 0.53
DRD2 P14416 5/20 0.53
DRD3 P35462 5/20 0.53
HSD17B10 Q99714 1/20 0.50
SRD5A1 P18405 1/20 0.48
DRD4 P21917 3/20 0.47
HTR2C P28335 2/20 0.47
HTR2B P41595 2/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
ACLY P53396 1/20 0.44
EGFR P00533 1/20 0.44
PDGFRB P09619 1/20 0.44
KDR P35968 1/20 0.44
BCL2 P10415 1/20 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
SCHEMBL21524785 0.90 HSD17B10 (0.58) NOTUMDRD1DRD5DRD2DRD3
SCHEMBL19676543 0.86 DRD1 (0.53) NOTUMDRD1DRD5DRD2DRD3
SCHEMBL2625807 0.80 NOTUM (0.59) NOTUMDRD1DRD5DRD2DRD3
SCHEMBL4105407 0.79 NOTUM (0.58) NOTUMDRD1DRD5DRD2DRD3
SCHEMBL23975613 0.78 DRD1 (0.66) NOTUMDRD1DRD5DRD2DRD3
SCHEMBL12905308 0.77 NOTUM (0.56) NOTUMDRD1DRD5DRD2DRD3
SCHEMBL2632805 0.76 NOTUM (0.55) NOTUMDRD1DRD5DRD2DRD3
SCHEMBL22021589 0.76 NOTUM (0.55) NOTUMDRD1DRD5DRD2DRD3
SCHEMBL17854037 0.76 NOTUM (0.55) NOTUMDRD1DRD5DRD2DRD3
SCHEMBL12488221 0.76 SRD5A1 (0.56) NOTUMDRD1DRD5DRD2DRD3

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