SCHEMBL31663086

SCHEMBL31663086

Cn1nc(-c2ccc(C=O)c(OC(F)F)c2)cc1-c1cnc(F)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 18/20 0.35
GRIN1 Q05586 14/20 0.34
ERN1 O75460 1/20 0.33
PDE4D Q08499 1/20 0.32

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
SCHEMBL31663278 0.87 GRIN2B (0.37) GRIN2BGRIN1
SCHEMBL31662999 0.86 GRIN2B (0.35) GRIN2BGRIN1PDE4D
SCHEMBL31662882 0.83 DRD1 (0.40) PDE4D
SCHEMBL31663072 0.81 PDE4D (0.41) PDE4D
SCHEMBL31663302 0.80 PHGDH (0.34) GRIN2BGRIN1PDE4D
SCHEMBL31662869 0.79 GRIN2B (0.35) GRIN2BGRIN1PDE4D
SCHEMBL31663238 0.79 CHRNB2 (0.34) GRIN2BPDE4D
SCHEMBL31663184 0.71 PTGES (0.38) GRIN2BGRIN1PDE4D
SCHEMBL31662943 0.70 PDE4D (0.38) PDE4D
SCHEMBL22770894 0.69 GRIN1 (0.46) 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
WO-2025149498-A1 BENZYLPIPERIDINE DERIVATIVES AS TRP4 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2025-07-17 WO disclosed