SCHEMBL529782

SCHEMBL529782

CC(C)(C)N1CCN(c2ccc(N)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
OGA O60502 2/20 0.45
HSD11B1 P28845 3/20 0.37
DHFR P00374 2/20 0.37
HSD11B2 P80365 1/20 0.37
UBE2T Q9NPD8 1/20 0.37
HTR3A P46098 1/20 0.37
CNR2 P34972 2/20 0.37
MAPT P10636 3/20 0.36
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
ALOX5AP P20292 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
SCHEMBL29499599 0.86 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19998348 0.86 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3828767 0.81 ALOX5AP (0.50) HSD11B1DHFRHSD11B2CNR2KDM4E
SCHEMBL55623 0.81 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29537043 0.81 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3980082 0.80 AOC3 (0.46) HSD11B1HSD11B2
SCHEMBL24422287 0.80 ME2 (0.52) OGAMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL12631524 0.80 DHFR (0.48) DHFRMAPTALDH1A1KDM4EGAA
SCHEMBL117948 0.80 MAPT (0.45) OGAHSD11B1HSD11B2MAPTALDH1A1
SCHEMBL20330331 0.80 ME2 (0.38) OGAHSD11B1HSD11B2HTR3AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023092098-A1 HETEROCYCLIC AMIDES AND METHODS OF USING THE SAME RGENTA THERAPEUTICS, INC. (US) 2023-05-25 WO disclosed
WO-2020081450-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. (US) 2020-04-23 WO disclosed
EP-2597955-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-06-05 EP disclosed
WO-2012016082-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2012-02-02 WO disclosed
EP-1984350-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS Novartis AG (CH) 2008-10-29 EP disclosed
WO-2008029266-A1 STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (US) 2008-03-13 WO disclosed
WO-2007084786-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2007-07-26 WO disclosed