SCHEMBL4463539

SCHEMBL4463539

CC1(C)CN(Cc2ccc(C(N)=O)cn2)CCN1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FGFR3 P22607 1/20 0.44
HDAC1 Q13547 1/20 0.41
HRH3 Q9Y5N1 3/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
NNMT P40261 3/20 0.39
PRKD1 Q15139 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
OPRM1 P35372 4/20 0.36
OPRK1 P41145 4/20 0.36
KDM5C P41229 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35

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
SCHEMBL3318614 0.81 FGFR3 (0.41) FGFR3HDAC1HRH3
SCHEMBL15251315 0.81 KDM5C (0.52) HRH3PRMT5WDR77NNMTSMN1; SMN2
SCHEMBL4465984 0.80 OPRM1 (0.41) HRH3PRMT5WDR77NNMTSMN1; SMN2
SCHEMBL3318608 0.80 HRH3 (0.41) FGFR3HDAC1HRH3HIF1AEPAS1
SCHEMBL15251306 0.76 HRH3 (0.57) HDAC1HRH3PRMT5WDR77NNMT
SCHEMBL4452722 0.76 HRH3 (0.48) HDAC1HRH3PRMT5WDR77NNMT
SCHEMBL4465211 0.76 HRH3 (0.48) HDAC1HRH3PRMT5WDR77NNMT
SCHEMBL27815604 0.73 HRH3 (0.61) HRH3PRMT5WDR77NNMTSMN1; SMN2
SCHEMBL4454098 0.72 NNMT (0.40) HRH3PRMT5WDR77NNMTSMN1; SMN2
SCHEMBL3399627 0.71 LMNA (0.52) FGFR3HRH3

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