SCHEMBL3256757

SCHEMBL3256757

O=C(OC1(Cc2ccc(F)c(Cl)c2)NC(c2ccccc2)C(c2ccccc2)N1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.34
CNR2 P34972 1/20 0.34
GRM2 Q14416 1/20 0.34
GRM3 Q14832 1/20 0.34
PIK3CA P42336 1/20 0.33
MAOB P27338 1/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
IDO1 P14902 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
ENPP2 Q13822 1/20 0.32
ATXN2 Q99700 1/20 0.32
MAPK1 P28482 1/20 0.32
CCR2 P41597 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
SCHEMBL3253367 0.90 KDM1A (0.35) GRM2GRM3GAARAB9A
SCHEMBL3255018 0.88 GAA (0.35) GAARAB9A
SCHEMBL3253979 0.85 CHRM5 (0.36) GAARAB9A
SCHEMBL3254057 0.84 TP53 (0.42) MAOBGAANPC1RAB9AMAPK1
SCHEMBL3258561 0.84 PDPK1 (0.39)
SCHEMBL3255000 0.83 P2RX7 (0.43) PPARGPPARA
SCHEMBL3254166 0.83 SMN1; SMN2 (0.39) GAA
SCHEMBL3255382 0.82 CYP1A2 (0.37) GAANPC1RAB9AMAPK1
SCHEMBL3255755 0.82 ALDH1A1 (0.36) MAPK1
SCHEMBL3255278 0.81 SIGMAR1 (0.35) MAOBGAA

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-1651613-B1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMA INC (US) 2010-05-26 EP disclosed