SCHEMBL20116867

SCHEMBL20116867

CC(C)(C)OC(=O)NCCc1cccc2c1cnn2C1CCCCO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 1/20 0.46
▸ ATR Q13535 3/20 0.42
▸ SCN9A Q15858 1/20 0.41
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ RXRG P48443 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ OGFRL1 Q5TC84 1/20 0.38
▸ HPGD P15428 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ EPHX1 P07099 1/20 0.36
▸ MTNR1B P49286 4/20 0.36
▸ MTNR1A P48039 4/20 0.36
▸ NAMPT P43490 1/20 0.36

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
SCHEMBL20089716 0.84 RXRA (0.37) ATRSCN9ARXRARXRBRXRG
SCHEMBL30869078 0.82 ATR (0.45) ATRSCN9AOPRM1OPRD1OPRK1
SCHEMBL19502544 0.79 RXRA (0.41) ATRRXRARXRBRXRGLMNA
SCHEMBL22941287 0.78 RXRA (0.45) ATRSCN9ARXRARXRBRXRG
SCHEMBL30860912 0.77 RXRA (0.41) ATRRXRARXRBRXRGOPRM1
SCHEMBL12272136 0.77 RXRA (0.55) ATRSCN9ARXRARXRBRXRG
SCHEMBL24179545 0.77 RXRA (0.46) RXRARXRBRXRGMEN1KMT2A
SCHEMBL25917431 0.76 CYP4F2 (0.43) RXRARXRBRXRGCNR2NAMPT
SCHEMBL25917489 0.76 RXRA (0.40) ATRSCN9ARXRARXRBRXRG
SCHEMBL31178830 0.76 CYP11B2 (0.35) ATRSCN9ARXRARXRBRXRG

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3640251-B1 6,7,8,9-TETRAHYDRO-3H-PYRAZOLO[4,3-F]ISOQUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2021-12-08 — — EP disclosed
EP-3640251-A1 6,7,8,9-TETRAHYDRO-3H-PYRAZOLO[4,3-F]ISOQUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astrazeneca AB (SE) 2020-04-22 — — EP disclosed
EP-3433256-B1 6,7,8,9-TETRAHYDRO-3H-PYRAZOLO[4,3-F]ISOQUINOLINE DERIVATIVE USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2019-08-07 — — EP disclosed
WO-2018077630-A1 6,7,8,9-TETRAHYDRO-3H-PYRAZOLO[4,3-F]ISOQUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2018-05-03 — — WO disclosed
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