SCHEMBL2563637

SCHEMBL2563637

CC(C)(C)OC(=O)NC1CCCC[C@H]1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.58
GAA P10253 2/20 0.45
EPHX1 P07099 1/20 0.44
CCR1 P32246 1/20 0.42
KDM1A O60341 2/20 0.41
MAOB P27338 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CTSK P43235 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL420232 1.00 BTK (0.58) BTKGAAEPHX1CCR1KDM1A
SCHEMBL1444279 1.00 BTK (0.58) BTKGAAEPHX1CCR1KDM1A
SCHEMBL1756657 1.00 BTK (0.58) BTKGAAEPHX1CCR1KDM1A
SCHEMBL14346489 1.00 BTK (0.58) BTKGAAEPHX1CCR1KDM1A
SCHEMBL169972 1.00 BTK (0.58) BTKGAAEPHX1CCR1KDM1A
SCHEMBL2560495 1.00 BTK (0.58) BTKGAAEPHX1CCR1KDM1A
SCHEMBL1444280 1.00 BTK (0.58) BTKGAAEPHX1CCR1KDM1A
SCHEMBL29046628 0.98 BTK (0.56) BTKGAAEPHX1CCR1KDM1A
SCHEMBL29046627 0.98 BTK (0.56) BTKGAAEPHX1CCR1KDM1A
SCHEMBL19217725 0.98 BTK (0.56) BTKGAAEPHX1CCR1KDM1A

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
CN-116547270-A 4- (2-fluoro-4-methoxy-5-3- (((1-methylcyclobutyl) methyl) carbamoyl) bicyclo [2.2.1] hept-2-yl) carbamoyl) phenoxy) -1-methylcyclohexane-1-carboxylic acid derivatives and similar compounds as RXFP1 modulators for the treatment of heart failure 阿斯利康(瑞典)有限公司 2023-08-04 CN disclosed
WO-2011133948-A2 HIGHLY ACTIVE POLYPEPTIDES AND METHODS OF MAKING AND USING THE SAME LONGEVITY BIOTECH, INC. (US) 2011-10-27 WO disclosed