SCHEMBL5796041

SCHEMBL5796041

CC1CCCc2nc(-c3ccccc3O)n(CCc3cccc(F)c3)c(=O)c21

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CASR P41180 20/20 0.70

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
SCHEMBL3382035 0.83 CASR (0.67) CASR
SCHEMBL3380694 0.83 CASR (0.67) CASR
SCHEMBL4160427 0.83 CASR (0.93) CASR
SCHEMBL3381332 0.83 CASR (1.00) CASR
SCHEMBL4143395 0.81 CASR (0.65) CASR
SCHEMBL3383171 0.78 CASR (1.00) CASR
SCHEMBL3384462 0.77 CASR (1.00) CASR
SCHEMBL3379049 0.76 CASR (0.87) CASR
SCHEMBL5747732 0.75 CASR (0.86) CASR
SCHEMBL3382240 0.75 CASR (1.00) CASR

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-2006066070-A2 PRODRUG CONSTRUCTS OF PYRIMIDINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2006-06-22 WO claimed