SCHEMBL3694516

SCHEMBL3694516

C1=NC2=C(CC1)CNCC2

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.30
CD44 P16070 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL3694424 0.83 PNMT (0.30) PNMTCD44MAOB
SCHEMBL3328797 0.72 PNMT (0.31) PNMTCD44MAOB
SCHEMBL12179455 0.69
SCHEMBL17953964 0.68
SCHEMBL16603037 0.67
SCHEMBL2496236 0.65 KDM4E (0.30)
SCHEMBL2496257 0.64
SCHEMBL18932500 0.62
SCHEMBL237770 0.61
SCHEMBL11983397 0.61

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-2010077740-A2 NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CYTOKINE PHARMASCIENCES, INC. (US) 2010-07-08 WO claimed