SCHEMBL4465984

SCHEMBL4465984

CN1CCN(Cc2ccc(C(N)=O)cn2)CC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.41
OPRK1 P41145 5/20 0.41
HRH3 Q9Y5N1 4/20 0.41
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
NNMT P40261 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35
OPRD1 P41143 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
SCHEMBL4465211 0.82 HRH3 (0.48) OPRM1OPRK1HRH3PRMT5WDR77
SCHEMBL3314471 0.81 LMNA (0.36) HRH3
SCHEMBL4463539 0.80 FGFR3 (0.44) OPRM1OPRK1HRH3PRMT5WDR77
SCHEMBL4452722 0.79 HRH3 (0.48) OPRM1OPRK1HRH3PRMT5WDR77
SCHEMBL3316119 0.79 MEN1 (0.41) OPRM1OPRK1HRH3HIF1AEPAS1
SCHEMBL4454098 0.78 NNMT (0.40) OPRM1OPRK1HRH3PRMT5WDR77
SCHEMBL15251306 0.77 HRH3 (0.57) OPRM1OPRK1HRH3PRMT5WDR77
SCHEMBL27815604 0.74 HRH3 (0.61) OPRM1OPRK1HRH3PRMT5WDR77
SCHEMBL15251315 0.74 KDM5C (0.52) OPRM1OPRK1HRH3PRMT5WDR77
SCHEMBL3314467 0.74 OPRM1 (0.32) OPRM1OPRK1OPRD1

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