SCHEMBL4454098

SCHEMBL4454098

CN1CCN(Cc2ccc(C(N)=O)cn2)C(C)(C)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NNMT P40261 4/20 0.40
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
OPRM1 P35372 4/20 0.36
OPRK1 P41145 4/20 0.36
CHEK1 O14757 1/20 0.36
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
EPHX2 P34913 1/20 0.34
MAP3K11 Q16584 1/20 0.34

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
SCHEMBL1126374 0.81 LMNA (0.36) HRH3KDM4EALDH1A1
SCHEMBL4465211 0.79 HRH3 (0.48) NNMTPRMT5WDR77HRH3SMN1; SMN2
SCHEMBL3317954 0.79 GRM2 (0.39) HRH3CHEK1MAP3K11
SCHEMBL4465984 0.78 OPRM1 (0.41) NNMTPRMT5WDR77HRH3SMN1; SMN2
SCHEMBL3318357 0.74 PARP1 (0.32)
SCHEMBL4463539 0.72 FGFR3 (0.44) NNMTPRMT5WDR77HRH3SMN1; SMN2
SCHEMBL23103266 0.72 HRH3 (0.42) PRMT5WDR77HRH3KDM4E
SCHEMBL15251306 0.72 HRH3 (0.57) NNMTPRMT5WDR77HRH3SMN1; SMN2
SCHEMBL4452722 0.71 HRH3 (0.48) NNMTPRMT5WDR77HRH3SMN1; SMN2
SCHEMBL27815604 0.71 HRH3 (0.61) NNMTPRMT5WDR77HRH3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009141386-A1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-11-26 WO disclosed