SCHEMBL20403441

SCHEMBL20403441

CC1(C)CCc2sc3nc(CN4NC(C(F)(F)F)C=C4C4CC4)cc(=O)n3c21

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 6/20 0.37
GRIN2A Q12879 6/20 0.37
GRIA2 P42262 4/20 0.36
MAPT P10636 5/20 0.32
RXFP1 Q9HBX9 2/20 0.30
KDM4E B2RXH2 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
SCHEMBL20403447 0.80 GRIN2A (0.35) GRIN1GRIN2AGRIA2MAPTRXFP1
SCHEMBL16645547 0.64 GRIN2A (0.69) GRIN1GRIN2AGRIA2
SCHEMBL20403425 0.62 GRIN2A (0.58) GRIN1GRIN2AGRIA2
SCHEMBL16645601 0.57 GRIN2A (0.51) GRIN1GRIN2AGRIA2MAPTRXFP1
SCHEMBL16645604 0.57 GRIN2A (0.60) GRIN1GRIN2AGRIA2MAPTRXFP1
SCHEMBL20403426 0.57 GRIN1 (0.49) GRIN1GRIN2AGRIA2
SCHEMBL20403382 0.56 GRIN1 (0.50) GRIN1GRIN2AGRIA2
SCHEMBL17975719 0.56 GRIN1 (0.56) GRIN1GRIN2AGRIA2
SCHEMBL16645974 0.55 GRIN2A (0.50) GRIN1GRIN2AGRIA2
SCHEMBL16645648 0.55 GRIN2A (0.59) GRIN1GRIN2AGRIA2

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
EP-3055315-B1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY HOFFMANN LA ROCHE (CH) 2018-07-25 EP disclosed