SCHEMBL28825490

SCHEMBL28825490

Fc1ccc([CH]c2ccncn2)cc1OC(F)F

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 17/20 0.41
GRIN1 Q05586 16/20 0.41
RXRA P19793 10/20 0.34
KCNH2 Q12809 3/20 0.33
DRD1 P21728 1/20 0.31

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
SCHEMBL28825467 0.82 GRIN1 (0.42) GRIN2BGRIN1RXRAKCNH2DRD1
SCHEMBL28825459 0.81 GRIN2B (0.42) GRIN2BGRIN1RXRAKCNH2
SCHEMBL28825471 0.80 GRIN1 (0.38) GRIN2BGRIN1
SCHEMBL28825582 0.78 GRIN1 (0.44) GRIN2BGRIN1RXRA
SCHEMBL28825529 0.77 GRIN2B (0.41) GRIN2BGRIN1RXRAKCNH2DRD1
SCHEMBL28825610 0.77 GRIN1 (0.45) GRIN2BGRIN1RXRA
SCHEMBL28825533 0.76 GRIN2B (0.41) GRIN2BGRIN1RXRAKCNH2DRD1
SCHEMBL28825512 0.74 GRIN1 (0.42) GRIN2BGRIN1RXRADRD1
SCHEMBL28825619 0.72 GRIN2B (0.37) GRIN2BGRIN1RXRAKCNH2DRD1
SCHEMBL24036560 0.70 DRD1 (0.50) DRD1

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 2 patents. 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 claimed
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