SCHEMBL19005685

SCHEMBL19005685

CC(C)(C)OC(=O)N1CCc2cn(CC3CC3)nc2C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.46
NR1H2 P55055 1/20 0.45
DRD2 P14416 3/20 0.43
MAPT P10636 2/20 0.43
CNR2 P34972 2/20 0.41
SLC34A1 Q06495 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
BACE1 P56817 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
CRHR1 P34998 1/20 0.38
HPGDS O60760 1/20 0.37

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
SCHEMBL24506914 0.90 SLC34A1 (0.46) ESR2NR1H2DRD2MAPTSLC34A1
SCHEMBL24507073 0.85 SLC34A1 (0.43) ESR2NR1H2MAPTSLC34A1BACE1
SCHEMBL24507072 0.84 SLC34A1 (0.42) ESR2NR1H2MAPTSLC34A1BACE1
SCHEMBL21041598 0.80 ESR2 (0.46) ESR2NR1H2MAPT
SCHEMBL16217169 0.79 ESR2 (0.52) ESR2NR1H2MAPTSLC34A1SMN1; SMN2
SCHEMBL16220598 0.78 ESR2 (0.51) ESR2NR1H2MAPTSLC34A1SMN1; SMN2
SCHEMBL17327921 0.78 ESR2 (0.51) ESR2NR1H2MAPTSLC34A1SMN1; SMN2
SCHEMBL17202601 0.78 SLC34A1 (0.40) ESR2NR1H2MAPTSLC34A1BACE1
SCHEMBL25447317 0.77 ESR2 (0.46) ESR2NR1H2MAPTSLC34A1PRMT5
SCHEMBL20764975 0.76 ESR2 (0.44) ESR2NR1H2MAPTSLC34A1PRMT5

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
CN-107207504-B Phthalazinone derivatives, preparation method and use thereof 四川科伦博泰生物医药股份有限公司 2020-03-10 CN disclosed
WO-2017101796-A1 PHTHALAZINONE DERIVATIVE, AND PREPARATION METHOD AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2017-06-22 WO disclosed