SCHEMBL16084012

SCHEMBL16084012

CC(C)(C)OC(=O)N1CCC(O)(COCC(F)(F)F)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 1/20 0.44
▸ USP2 O75604 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PKLR P30613 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ GPR119 Q8TDV5 3/20 0.37
▸ PDK2 Q15119 1/20 0.37
▸ LIPE Q05469 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ RECQL P46063 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
SCHEMBL16049616 0.84 USP2 (0.46) TACR1USP2SMN1; SMN2PKLRHPGD
SCHEMBL849402 0.80 USP2 (0.49) TACR1USP2SMN1; SMN2MAPTHPGD
SCHEMBL15742971 0.80 USP2 (0.49) TACR1USP2SMN1; SMN2HPGDEPHX2
SCHEMBL2945193 0.79 USP2 (0.50) TACR1USP2SMN1; SMN2HPGDEPHX2
SCHEMBL2349423 0.79 USP2 (0.50) TACR1USP2SMN1; SMN2HPGDEPHX2
SCHEMBL16049599 0.78 USP2 (0.44) TACR1USP2SMN1; SMN2PKLRMAPT
SCHEMBL1934149 0.78 USP2 (0.41) TACR1USP2SMN1; SMN2HPGDEPHX2
SCHEMBL26665526 0.78 USP2 (0.46) TACR1USP2SMN1; SMN2HPGDEPHX2
SCHEMBL154164 0.77 USP2 (0.49) USP2SMN1; SMN2HPGDEPHX2DPP4
SCHEMBL2525447 0.77 USP2 (0.49) TACR1USP2SMN1; SMN2HPGDEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970189-B1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS INC (US) 2020-05-06 — — EP disclosed
WO-2014139325-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. (US) 2014-09-18 — — WO disclosed
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