SCHEMBL15061632

SCHEMBL15061632

COC(=O)c1ccc(C(C)NNC(=O)OC(C)(C)C)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 3/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.34
APLNR P35414 1/20 0.34
ATR Q13535 1/20 0.34
GAA P10253 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL4076229 0.91 NPSR1 (0.39) NPSR1HPGDTSHRMAPK1ATM
SCHEMBL4072533 0.82 ALOX5 (0.39) LMNAPOLBAPLNRGAAALDH1A1
SCHEMBL15061654 0.77 NPSR1 (0.45) NPSR1HPGDTSHRMAPK1ATM
SCHEMBL6492852 0.76 NPSR1 (0.47) NPSR1HPGDTSHRMAPK1ATM
SCHEMBL4150440 0.74 NPSR1 (0.47) NPSR1HPGDTSHRMAPK1ATM
SCHEMBL6385504 0.74 CA1 (0.45) TSHRKDM4EMAPTGAAALDH1A1
SCHEMBL2403566 0.73 NPSR1 (0.53) NPSR1HPGDTSHRMAPK1ATM
SCHEMBL23791955 0.72 ALDH1A1 (0.38) NPSR1HPGDTSHRMAPK1ATM
SCHEMBL7585603 0.72 TSHR (0.41) HPGDTSHRATMLMNAKDM4E
SCHEMBL2654349 0.72 NPSR1 (0.51) NPSR1HPGDTSHRMAPK1ATM

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-2440553-B1 THIOPHENES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE MERCK SHARP & DOHME (US) 2017-08-23 EP disclosed
US-8470773-B2 Thiophenes as glucagon receptor antagonists, compositions, and methods for their use MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed