SCHEMBL5796090

SCHEMBL5796090

Cc1nc(-c2ccccc2OP(=O)(O)O)n(CCc2cccc(F)c2)c(=O)c1C(C)C

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CASR P41180 18/20 0.73
NR1I2 O75469 5/20 0.42
MAPT P10636 1/20 0.38

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
SCHEMBL5798839 0.99 CASR (0.71) CASRNR1I2MAPT
SCHEMBL5798841 0.99 CASR (0.71) CASRNR1I2MAPT
SCHEMBL5799432 0.89 CASR (0.67) CASRNR1I2MAPT
SCHEMBL5799707 0.88 CASR (0.66) CASRNR1I2MAPT
SCHEMBL3382473 0.88 CASR (0.76) CASRNR1I2MAPT
SCHEMBL5797799 0.88 CASR (0.58) CASRNR1I2
SCHEMBL5799715 0.87 CASR (0.62) CASRNR1I2
SCHEMBL5822471 0.86 CASR (0.73) CASRNR1I2MAPT
SCHEMBL5823509 0.85 CASR (0.71) CASRNR1I2MAPT
SCHEMBL5823507 0.85 CASR (0.71) CASRNR1I2MAPT

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