SCHEMBL5556237

SCHEMBL5556237

CC(C)(C)NS(=O)(=O)N1C(=O)C2(CCN(C(=O)OC(C)(C)C)CC2)CC1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.43
TSHR P16473 2/20 0.43
ALOX15 P16050 1/20 0.43
STS P08842 2/20 0.42
ATM Q13315 1/20 0.41
GPR119 Q8TDV5 5/20 0.40
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
NAMPT P43490 1/20 0.38

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
SCHEMBL3180878 0.77 USP30 (0.44) USP30TSHRALOX15ATMGPR119
SCHEMBL25484607 0.75 USP30 (0.44) USP30TSHRALOX15STSATM
SCHEMBL13342724 0.73 USP30 (0.47) USP30TSHRALOX15ATMGPR119
SCHEMBL13026389 0.72 USP30 (0.46) USP30TSHRALOX15ATMGPR119
SCHEMBL6823312 0.72 USP30 (0.46) USP30TSHRALOX15ATMGPR119
SCHEMBL8209292 0.71 USP30 (0.69) USP30TSHRALOX15ATMGPR119
SCHEMBL8218899 0.70 GPR119 (0.48) USP30TSHRALOX15ATMGPR119
SCHEMBL8212694 0.68 TRPV1 (0.61) USP30TSHRALOX15ATMGPR119
SCHEMBL8208288 0.68 HDAC1 (0.47) USP30TSHRALOX15STSATM
SCHEMBL8200179 0.68 TSHR (0.47) USP30TSHRALOX15ATMGPR119

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-1799672-A2 CGRP RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2007-06-27 EP disclosed
WO-2006041830-A2 CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-04-20 WO disclosed