SCHEMBL31456940

SCHEMBL31456940

NCc1cc(F)cc(-c2cnn(-c3ccccc3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 12/20 0.45
▸ PTGDR2 Q9Y5Y4 1/20 0.43
▸ DRD2 P14416 2/20 0.41
▸ DRD4 P21917 2/20 0.41
▸ DRD3 P35462 2/20 0.41
▸ HSP90AA1 P07900 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ GRM2 Q14416 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ MTNR1A P48039 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 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
SCHEMBL27374582 1.00 GRM4 (0.45) GRM4PTGDR2DRD2DRD4DRD3
SCHEMBL30751481 0.90 DYRK1B (0.42) GRM4PTGDR2DRD2DRD4DRD3
SCHEMBL27375162 0.90 DYRK1B (0.42) GRM4PTGDR2DRD2DRD4DRD3
SCHEMBL30751416 0.90 GRM4 (0.48) GRM4PTGDR2NPC1RAB9A
Hydrochloric Acid SCHEMBL31457074 0.89 DYRK1B (0.42) GRM4PTGDR2DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL30751276 0.88 GRM4 (0.47) GRM4PTGDR2NPC1RAB9A
SCHEMBL31457020 0.88 CYP17A1 (0.43) GRM4
SCHEMBL27374758 0.88 CYP17A1 (0.43) GRM4
SCHEMBL31457015 0.87 RIPK2 (0.40) GRM4PTGDR2
SCHEMBL27375290 0.87 RIPK2 (0.40) GRM4PTGDR2

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-119654324-A Novel compounds as hypoxia inducible factor 1 (HIF-1) inhibitors or Vascular Endothelial Growth Factor (VEGF) inhibitors and pharmaceutical compositions comprising the same 株式会社次代生物科学 2025-03-18 — — CN disclosed
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