SCHEMBL7843840

SCHEMBL7843840

CC(C)(C)OC(=O)NC(N)=Nc1cccc(-c2ncccc2O[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 8/20 0.34
HRH4 Q9H3N8 8/20 0.33
SMO Q99835 4/20 0.33
ITGB3 P05106 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGAV P06756 1/20 0.33
ITGA2B P08514 1/20 0.33
ITGB5 P18084 1/20 0.33
TDP2 O95551 2/20 0.33
HRH3 Q9Y5N1 4/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
HRH1 P35367 3/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NR1H4 Q96RI1 1/20 0.31
METAP1 P53582 1/20 0.31

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
SCHEMBL7236713 0.92 NPFFR1 (0.35) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL7846039 0.85 HRH2 (0.36) HRH2HRH4ITGB3ITGB1ITGAV
SCHEMBL7231945 0.79 BACE1 (0.37) SMOTDP2KDM4EL3MBTL1NR1H4
SCHEMBL7843692 0.78 TDP2 (0.40) TDP2KDM4ENR1H4
SCHEMBL7843844 0.78 TDP2 (0.36) TDP2KDM4E
SCHEMBL7843836 0.76 HRH2 (0.33) HRH2HRH4SMOITGB3ITGB1
SCHEMBL7237877 0.76 TRPV1 (0.40) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL7237052 0.76 NPFFR1 (0.37) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL7240889 0.75 TRPV1 (0.39) TDP2
SCHEMBL7238421 0.74 TRPV1 (0.43)

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-1157022-A1 PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-28 EP disclosed
WO-2000049015-A1 PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-24 WO disclosed