SCHEMBL2474368

SCHEMBL2474368

CC(C)COC(=O)N1CCC(C#N)(c2ccc(Cl)cc2F)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.44
HRH1 P35367 1/20 0.42
SLC6A15 Q9H2J7 1/20 0.42
USP30 Q70CQ3 1/20 0.39
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
ADRA1D P25100 2/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 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
RORC P51449 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
APP P05067 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL1195085 0.83 CYP3A4 (0.48) USP30JAK2JAK1MEN1KMT2A
SCHEMBL11092491 0.75 OPRM1 (0.60) KMT2ATSHR
SCHEMBL2778584 0.73 L3MBTL1 (0.38) KITRORCPTGDR2MEN1KMT2A
SCHEMBL28691096 0.73 OPRM1 (0.39) USP30KMT2A
SCHEMBL6963424 0.73 MEN1 (0.46) JAK2JAK1MEN1KMT2A
SCHEMBL29995192 0.71 GPR119 (0.44) HRH1JAK2JAK1ADRA1DADRA1A
SCHEMBL7527349 0.71 GPR119 (0.44) HRH1JAK2JAK1ADRA1DADRA1A
SCHEMBL2779561 0.70 GPR119 (0.43) JAK2JAK1KMT2A
SCHEMBL28597678 0.70 USP30 (0.46) USP30JAK2JAK1RORC
SCHEMBL31415651 0.69 MEN1 (0.44) JAK2JAK1MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2370423-A1 METHOD FOR PREPARING A SPIROINDOLINE AND A PRECURSOR THEREOF Glaxo Group Limited (GB) 2011-10-05 EP disclosed
WO-2010065704-A1 METHOD FOR PREPARING A SPIROINDOLINE AND A PRECURSOR THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 WO disclosed
EP-2166848-A1 SPIROINDOLINES AS MODULATORS OF CHEMOKINE RECEPTORS Glaxo Group Limited (GB) 2010-03-31 EP disclosed
WO-2008157741-A1 SPIROINDOLINES AS MODULATORS OF CHEMOKINE RECEPTORS GLAXO GROUP LIMITED (GB) 2008-12-24 WO disclosed