SCHEMBL7415947

SCHEMBL7415947

CC(C)(C)OC(=O)N1CCC(N)=C(C#N)C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.50
ESR2 Q92731 1/20 0.48
ADORA1 P30542 2/20 0.47
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CTSK P43235 1/20 0.39
GPR119 Q8TDV5 3/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 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
SCHEMBL2493397 0.87 NR1H2 (0.41) NR1H2ESR2ADORA1MAPTUSP2
SCHEMBL626936 0.84 ESR2 (0.49) NR1H2ESR2ADORA1MAPTUSP2
SCHEMBL10774824 0.79 BPTF (0.51) MAPTKDM4ESMN1; SMN2CTSKGAA
SCHEMBL9901697 0.78 ADORA1 (0.46) NR1H2ESR2ADORA1MAPTKDM4E
SCHEMBL8262725 0.77 ADORA1 (0.55) NR1H2ESR2ADORA1MAPTKDM4E
SCHEMBL22056067 0.76 NR1H2 (0.46) NR1H2ESR2ADORA1MAPTKDM4E
SCHEMBL29516101 0.76 NR1H2 (0.61) NR1H2ESR2ADORA1MAPTKDM4E
SCHEMBL24269251 0.75 NR1H2 (0.51) NR1H2ESR2ADORA1MAPTKDM4E
SCHEMBL16356223 0.75 NR1H2 (0.51) NR1H2ESR2ADORA1MAPTKDM4E
SCHEMBL5599594 0.75 ESR2 (0.62) NR1H2ESR2ADORA1MAPTKDM4E

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
EP-1230225-A2 PHARMACEUTICALLY ACTIVE 4-SUBSTITUTED PYRIMIDINE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-08-14 EP disclosed
WO-2001032632-A2 PHARMACEUTICALLY ACTIVE 4-SUBSTITUTED PYRIMIDINE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-05-10 WO disclosed