SCHEMBL30767744

SCHEMBL30767744

O=C(O)Cc1ccc(-c2cnn(-c3ccc(F)cc3)c2)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.43
DGAT1 O75907 2/20 0.43
SOAT1 P35610 2/20 0.43
RIPK2 O43353 1/20 0.41
FFAR4 Q5NUL3 3/20 0.39
MELK Q14680 1/20 0.38
GRM2 Q14416 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
PTPN1 P18031 1/20 0.37

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
SCHEMBL30767750 0.84 MAP4K4 (0.47) GRM4FFAR4MELKPTGDR2NPC1
SCHEMBL27377079 0.83 GRM4 (0.46) GRM4MELKGRM2DRD2DRD4
SCHEMBL30767760 0.81 PTGDR2 (0.45) GRM4RIPK2FFAR4MELKPTGDR2
SCHEMBL1194641 0.79 DRD2 (0.51) FFAR4PTGDR2NPC1RAB9ADRD2
SCHEMBL182167 0.79 ADH5 (0.47) GRM4MELKGRM2NPC1RAB9A
SCHEMBL11486254 0.76 QPCT (0.49) FFAR4PTGDR2NPC1RAB9ADRD2
SCHEMBL27377074 0.73 GRM4 (0.46) GRM4MELKDYRK1B
SCHEMBL27376813 0.73 GRM4 (0.46) GRM4MELKGRM2DRD2DRD4
SCHEMBL17125408 0.72 CA12 (0.46) RIPK2MELKPTGDR2NPC1RAB9A
Hydrochloric Acid SCHEMBL30751306 0.72 GRM4 (0.45) GRM4MELKGRM2DRD2DRD4

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-2024014851-A1 NOVEL PURINE DERIVATIVE COMPOUNDS AS HIF-1 PROTEIN INHIBITOR 주식회사 넥스트젠바이오사이언스 2024-01-18 WO disclosed