SCHEMBL30793545

SCHEMBL30793545

CC(C)(C)OC(=O)N1CCCc2[nH]ncc2C1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.56
NAMPT P43490 1/20 0.52
ESR2 Q92731 1/20 0.47
MAPK1 P28482 1/20 0.46
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ACACB O00763 5/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
CYBB P04839 1/20 0.38
NOX5 Q96PH1 1/20 0.38
NOX4 Q9NPH5 1/20 0.38
NOX1 Q9Y5S8 1/20 0.38

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
SCHEMBL1018783 0.92 NR1H2 (0.58) NR1H2NAMPTESR2MAPK1MAPT
SCHEMBL6890800 0.85 NR1H2 (0.62) NR1H2NAMPTESR2MAPK1MAPT
SCHEMBL8223979 0.84 NR1H2 (0.55) NR1H2NAMPTESR2MAPK1MAPT
SCHEMBL31535874 0.83 NR1H2 (0.53) NR1H2NAMPTESR2MAPK1MAPT
SCHEMBL30508929 0.79 NAMPT (0.44) NR1H2NAMPTESR2MAPK1MAPT
SCHEMBL31549281 0.79 NR1H2 (0.55) NR1H2NAMPTESR2MAPK1MAPT
SCHEMBL6111584 0.77 SPR (0.45) NR1H2NAMPTMAPK1MAPTPSEN1
Pyrazole SCHEMBL4014508 0.77 NR1H2 (0.56) NR1H2NAMPTESR2MAPK1MAPT
SCHEMBL25337422 0.76 ESR2 (0.40) NR1H2ESR2MAPK1MAPTHPGD
SCHEMBL16968266 0.76 NR1H2 (0.41) NR1H2NAMPTACACBPSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4540254-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2025-04-23 EP disclosed
CN-119454705-A Formulations and methods of use of RBP4 inhibitors 倍亮生物有限责任公司 2025-02-18 CN disclosed
WO-2023244604-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2023-12-21 WO disclosed