SCHEMBL28244352

SCHEMBL28244352

CC(O)C(OC(=O)NC(C)(C)C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 9/20 0.49
MAPT P10636 1/20 0.47
SLC6A4 P31645 1/20 0.42
HTT P42858 1/20 0.42
TACR1 P25103 3/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
GPR88 Q9GZN0 1/20 0.38
SCN9A Q15858 1/20 0.37

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
SCHEMBL17465167 0.82 HCAR2 (0.50) TACR3MAPTSLC6A4HTTKMT2A
SCHEMBL27666225 0.82 HCAR2 (0.50) TACR3MAPTSLC6A4HTTKMT2A
SCHEMBL4901518 0.78 LMNA (0.43) HTTKMT2ALMNA
SCHEMBL28305489 0.78 MAPT (0.45) TACR3MAPTSLC6A4HTTKMT2A
SCHEMBL17844765 0.75 MAPT (0.43) TACR3MAPTHTTKMT2AMEN1
SCHEMBL20482479 0.75 KMT2A (0.48) TACR3MAPTHTTKMT2AMEN1
SCHEMBL28862367 0.75 MAPT (0.47) TACR3MAPTHTTKMT2AMEN1
SCHEMBL27983615 0.75 MAPT (0.43) TACR3MAPTHTTKMT2AMEN1
SCHEMBL28764377 0.75 CYP1A2 (0.44) KMT2ALMNA
SCHEMBL27485822 0.75 SCN9A (0.47) TACR3MAPTLMNASCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108617166-A Protein Kinase Inhibitor Benzolactam Compounds 大冢制药株式会社 2018-10-02 CN disclosed