SCHEMBL4554717

SCHEMBL4554717

CC(C)(C)OC(=O)n1c(N)cc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 19/20 0.60
NR1H3 Q13133 4/20 0.55
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52

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
SCHEMBL5713778 0.83 NR1H2 (0.57) NR1H2NR1H3CA12CA9
SCHEMBL30711377 0.83 NR1H2 (0.57) NR1H2NR1H3CA12CA9
SCHEMBL17022654 0.83 NR1H2 (0.57) NR1H2NR1H3CA12CA9
SCHEMBL28615203 0.83 L3MBTL1 (0.47) NR1H2NR1H3
SCHEMBL5599682 0.82 NR1H2 (0.56) NR1H2NR1H3CA12CA9
SCHEMBL29942670 0.82 NR1H2 (0.56) NR1H2NR1H3CA12CA9
SCHEMBL28370689 0.82 NR1H2 (0.56) NR1H2NR1H3CA12CA9
SCHEMBL4125402 0.82 NR1H2 (0.60) NR1H2NR1H3CA12CA9
SCHEMBL7913537 0.82 NR1H2 (0.56) NR1H2NR1H3CA12CA9
SCHEMBL17422843 0.82 NR1H2 (0.56) NR1H2NR1H3CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107835814-A Azabenzimidazoles and their use as ampa receptor modulators 詹森药业有限公司 2018-03-23 CN disclosed
EP-2114454-A2 CHEMICAL LINKERS AND CLEAVABLE SUBSTRATES AND CONJUGATES THEREOF Medarex, Inc. (US) 2009-11-11 EP disclosed
WO-2008083312-A2 CHEMICAL LINKERS AND CLEAVABLE SUBSTRATES AND CONJUGATES THEREOF MEDAREX, INC. (US) 2008-07-10 WO disclosed