SCHEMBL21613650

SCHEMBL21613650

C/C=C(/C)c1ncc(-c2cc(F)cc(F)c2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 19/20 0.40
GRIN1 Q05586 6/20 0.39
VRK1 Q99986 1/20 0.35

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
SCHEMBL21613463 0.86 GRIN2B (0.41) GRIN2BGRIN1
SCHEMBL21613443 0.81 GRIN2B (0.48) GRIN2BGRIN1
SCHEMBL21613618 0.81 GRIN2B (0.38) GRIN2BGRIN1VRK1
SCHEMBL21613612 0.80 GRIN2B (0.43) GRIN2BGRIN1
SCHEMBL21613606 0.79 PSMB5 (0.44) GRIN2B
SCHEMBL21613614 0.76 GRIN2B (0.44) GRIN2BGRIN1
SCHEMBL21613617 0.76 GRIN2B (0.44) GRIN2BGRIN1
SCHEMBL21613621 0.76 GRIN2B (0.44) GRIN2BGRIN1
SCHEMBL21613526 0.76 GRIN2B (0.34) GRIN2BGRIN1VRK1
SCHEMBL21613480 0.75 EGLN1 (0.45) GRIN2BGRIN1

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-3319963-B1 SUBSTITUTED 4-AZAINDOLES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-01-08 EP disclosed