SCHEMBL4002838

SCHEMBL4002838

CCCCOC(=O)N1CCC(COC(C)c2cc(Cl)cc3c(C#N)cn(COCC[Si](C)(C)C)c23)(c2ccc(F)cc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.33
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
SMYD3 Q9H7B4 1/20 0.31

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
SCHEMBL2425931 0.90 GPR119 (0.37)
SCHEMBL2428962 0.75 TACR1 (0.30)
SCHEMBL4007696 0.75 CTSK (0.35) MCHR1OPRD1OPRK1SMYD3
SCHEMBL2427997 0.75 DGAT1 (0.31)
SCHEMBL2431443 0.74 TACR1 (0.36)
SCHEMBL2431447 0.74 TACR1 (0.36)
SCHEMBL2426430 0.74 TACR1 (0.35)
SCHEMBL2428513 0.74 TACR1 (0.35)
SCHEMBL2428891 0.74 TACR1 (0.34)
SCHEMBL2427833 0.73 TACR1 (0.32)

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-2009009411-A1 SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-15 WO disclosed