SCHEMBL29145362

SCHEMBL29145362

CC(=O)Nc1ccc(CC(N)C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
SLC7A5 Q01650 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPK1 P28482 2/20 0.45
PKM P14618 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LNPEP Q9UIQ6 2/20 0.45
ERAP2 Q6P179 1/20 0.45
ROCK2 O75116 1/20 0.44
NPR3 P17342 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
STAT3 P40763 2/20 0.43

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
SCHEMBL24514176 1.00 ADRB2 (0.47) ADRB2ADRB1ADRB3SLC7A5KMT2A
SCHEMBL29145376 0.91 LNPEP (0.46) SLC7A5LNPEPERAP2ROCK2SMN1; SMN2
SCHEMBL24514069 0.91 LNPEP (0.46) SLC7A5LNPEPERAP2ROCK2SMN1; SMN2
SCHEMBL2995178 0.90 SLC7A5 (0.56) SLC7A5LNPEPROCK2NPR3STAT3
SCHEMBL2995175 0.90 SLC7A5 (0.56) SLC7A5LNPEPROCK2NPR3STAT3
Hydrochloric Acid SCHEMBL23466585 0.89 SLC7A5 (0.55) SLC7A5KMT2AMEN1LNPEPROCK2
SCHEMBL24514067 0.89 SLC7A5 (0.44) SLC7A5LNPEPERAP2ROCK2STAT3
SCHEMBL23486555 0.89 SLC7A5 (0.49) SLC7A5LNPEPROCK2HDAC8
SCHEMBL29139603 0.87 MEN1 (0.49) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL23486798 0.87 MEN1 (0.49) ADRB2ADRB1ADRB3KMT2AMEN1

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-117480164-B Factor XIa inhibitor and preparation method and application thereof 上海领泰生物医药科技有限公司 2024-07-05 CN disclosed
CN-117480164-A Factor XIa inhibitor and preparation method and application thereof 上海领泰生物医药科技有限公司 2024-01-30 CN disclosed