SCHEMBL3255495

SCHEMBL3255495

CCSc1ccc(N(Cc2cccnc2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1.CCSc1ccc(N(Cc2cncs2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1.CSc1ccc(N(Cc2cncs2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1.CSc1cccc(N(Cc2cncs2)c2ccc(OC(F)F)c(OC(F)F)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.35
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
GRM2 Q14416 6/20 0.31
CYP3A4 P08684 2/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
NR3C2 P08235 1/20 0.30

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
SCHEMBL3192323 0.86 HRH4 (0.33) PDE4B
SCHEMBL3128295 0.85 PDE4B (0.42) PDE4BGAAMAPTGRM2CYP3A4
SCHEMBL3201858 0.85 HRH4 (0.35)
SCHEMBL3122554 0.85 PDE4B (0.44) PDE4BGAAMAPTGRM2CYP3A4
SCHEMBL3217097 0.84 HRH4 (0.34)
SCHEMBL3200789 0.80 PDE4B (0.40) PDE4BGAAMAPTGRM2NR3C2
SCHEMBL3214297 0.77 PDE4B (0.42) PDE4BMAPT
SCHEMBL1157700 0.75 PDE4B (0.44) PDE4BGRM2CYP3A4CYP1A2CYP2D6
SCHEMBL3123568 0.75 ALDH1A1 (0.40) PDE4BGAAMAPTCYP3A4CYP1A2
SCHEMBL3120759 0.74 GRM2 (0.40) PDE4BGRM2CYP3A4

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-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 WO disclosed