SCHEMBL20403447

SCHEMBL20403447

CC1(C)CCc2sc3nc(CN4NC(C5CC5)C=C4C(F)(F)F)cc(=O)n3c21

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN2A Q12879 11/20 0.35
GRIN1 Q05586 10/20 0.35
GRIA2 P42262 8/20 0.34
GRIN2D O15399 1/20 0.32
GRIN2C Q14957 1/20 0.32
RXFP1 Q9HBX9 1/20 0.30
MAPT P10636 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
SCHEMBL20403441 0.80 GRIN1 (0.37) GRIN2AGRIN1GRIA2RXFP1MAPT
SCHEMBL20403382 0.77 GRIN1 (0.50) GRIN2AGRIN1GRIA2
SCHEMBL16645605 0.74 GRIN2A (0.59) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16645603 0.74 GRIN2A (0.50) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16645923 0.73 GRIN2A (0.48) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16645601 0.55 GRIN2A (0.51) GRIN2AGRIN1GRIA2RXFP1MAPT
SCHEMBL16645604 0.55 GRIN2A (0.60) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL17975719 0.55 GRIN1 (0.56) GRIN2AGRIN1GRIA2
SCHEMBL16645607 0.54 GRIN2A (0.54) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16638013 0.54 GRIN1 (0.70) GRIN2AGRIN1GRIA2

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