SCHEMBL5252110

SCHEMBL5252110

CCOCC1CN(C(=O)OC(C)(C)C)CC1NC(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 3/20 0.51
▸ GPR119 Q8TDV5 1/20 0.44
▸ LIPE Q05469 1/20 0.44
▸ KCNH2 Q12809 2/20 0.43
▸ SCN5A Q14524 2/20 0.43
▸ SCN9A Q15858 2/20 0.43
▸ ADAM17 P78536 3/20 0.41
▸ MMP12 P39900 3/20 0.40
▸ MMP3 P08254 2/20 0.40
▸ MMP7 P09237 2/20 0.40
▸ MMP10 P09238 2/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ KDM2B Q8NHM5 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL2517945 1.00 USP30 (0.51) USP30GPR119LIPEKCNH2SCN5A
SCHEMBL2520347 0.83 USP30 (0.53) USP30GPR119LIPEKCNH2SCN5A
SCHEMBL2516381 0.83 USP30 (0.53) USP30GPR119LIPEKCNH2SCN5A
SCHEMBL2515969 0.78 HDAC3 (0.45) HDAC3HDAC1HDAC2EPHX2NR1H4
SCHEMBL2516384 0.73 USP30 (0.42) USP30GPR119LIPEKCNH2SCN5A
SCHEMBL21819347 0.72 GPR119 (0.55) GPR119LIPEEPHX2NR1H4
SCHEMBL16032847 0.71 USP30 (0.60) USP30GPR119ADAM17MMP12MMP3
SCHEMBL16032849 0.71 USP30 (0.60) USP30GPR119ADAM17MMP12MMP3
SCHEMBL20757381 0.70 LIPE (0.56) GPR119LIPEKCNH2SCN5ASCN9A
SCHEMBL2515972 0.70 SSTR4 (0.47) LIPEKCNH2SCN5ASCN9AHDAC3

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-1748980-A1 PYRROLIDINE DERIVATIVES AS CB1-RECEPTOR ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 2007-02-07 — — EP disclosed
WO-2005115977-A1 PYRROLIDINE DERIVATIVES AS CB1-RECEPTOR ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 2005-12-08 — — WO disclosed
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