SCHEMBL28825611

SCHEMBL28825611

COc1nccc([CH]c2ccc(F)c(C(F)F)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 20/20 0.43
GRIN2B Q13224 20/20 0.43
RXRA P19793 17/20 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
SCHEMBL28825610 0.84 GRIN1 (0.45) GRIN1GRIN2BRXRA
SCHEMBL28825578 0.77 GRIN1 (0.41) GRIN1GRIN2BRXRA
SCHEMBL28825666 0.75 GRIN1 (0.41) GRIN1GRIN2BRXRA
SCHEMBL28825471 0.73 GRIN1 (0.38) GRIN1GRIN2B
SCHEMBL28825503 0.72 MEN1 (0.41) GRIN1GRIN2BRXRA
SCHEMBL28825599 0.71 GRIN1 (0.46) GRIN1GRIN2BRXRA
SCHEMBL28825609 0.71 GRIN1 (0.42) GRIN1GRIN2BRXRA
SCHEMBL28825500 0.71 RAB9A (0.40) GRIN1GRIN2B
SCHEMBL28825536 0.68 GRIN2B (0.37) GRIN1GRIN2BRXRA
SCHEMBL18143912 0.65 NFE2L2 (0.58)

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
CN-114007610-A Substituted heteroaromatic pyrazolopyridines and their use as modulators of the GLUN2B receptor 詹森药业有限公司 2022-02-01 CN disclosed