SCHEMBL8287702

SCHEMBL8287702

CC(C)(C)OC(O)N1CCC(Oc2cc(N3CCCC3)ccc2C(=O)Nc2cnccc2C(=O)Nc2nccs2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.40
PRNP P04156 1/20 0.37
GPR6 P46095 5/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
MAP3K7 O43318 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
FLT3 P36888 2/20 0.35
METAP1 P53582 1/20 0.35
SCN1A P35498 2/20 0.35
SCN8A Q9UQD0 2/20 0.35
GCK P35557 1/20 0.35
BTK Q06187 1/20 0.34

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
SCHEMBL3903857 0.88 TBK1 (0.40) PTGDRPRNPGPR6ADORA2AADORA1
SCHEMBL8287160 0.85 PTGDR (0.42) PTGDRPRNPMAP3K7PDE4APDE4B
Trifluoroacetic Acid SCHEMBL3903120 0.82 PTGDR (0.40) PTGDRPRNPGPR6FLT3
SCHEMBL3160242 0.79 METAP1 (0.44) PTGDRPRNPPDE4BNPC1RAB9A
SCHEMBL3903799 0.78 TXK (0.39) GPR6PDE4APDE4BPDE4CPDE4D
SCHEMBL3904310 0.77 TOP2A (0.40) GPR6PDE4BMAPT
SCHEMBL3159855 0.76 KDM1A (0.45) PTGDRPRNPNPC1RAB9AFLT3
SCHEMBL8286962 0.76 ATR (0.39) GPR6PDE4APDE4BPDE4CPDE4D
SCHEMBL3904231 0.75 TOP2A (0.45) GPR6PDE4APDE4BPDE4CPDE4D
SCHEMBL8285039 0.75 GRM5 (0.43) GPR6PDE4APDE4BPDE4CPDE4D

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-2005049604-A2 ANTITHROMBOTIC AROMATIC ETHERS ELI LILLY AND COMPANY (US) 2005-06-02 WO disclosed