SCHEMBL30933703

SCHEMBL30933703

CCOc1ccc(Cl)cc1CN[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
MAPK8 P45983 1/20 0.42
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
PTGER1 P34995 2/20 0.41
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CACNB4 O00305 1/20 0.39
CACNA1A O00555 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNG3 O60359 1/20 0.39
CACNA1F O60840 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNB3 P54284 1/20 0.39
CACNA2D1 P54289 1/20 0.39
CACNG7 P62955 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNB1 Q02641 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
SCHEMBL30933830 0.94 MAPK8 (0.45) CYP1A2CYP2D6MAPK8NPBWR1MCHR1
SCHEMBL30933776 0.94 CYP1A2 (0.44) CYP1A2CYP2D6MAPK8NPBWR1MCHR1
SCHEMBL30933701 0.83 MAPK8 (0.44) MAPK8PTGER1CACNB4CACNA1ACACNA1G
SCHEMBL30933889 0.80 ANO1 (0.45) CYP1A2CYP2D6MAPK8NPBWR1MCHR1
SCHEMBL30933805 0.78 AHCY (0.48) CYP1A2CYP2D6MAPK8L3MBTL1NPC1
SCHEMBL30933728 0.78 TACR1 (0.49) CYP2D6NPBWR1MCHR1L3MBTL1KDM1A
SCHEMBL30902410 0.78 DDR1 (0.54) KDM4DDRD2
SCHEMBL30933714 0.78 L3MBTL1 (0.43) CYP1A2CYP2D6NPBWR1MCHR1KMT2A
SCHEMBL30933706 0.77 CYP1A2 (0.47) CYP1A2CYP2D6NPBWR1MCHR1KMT2A
SCHEMBL27341009 0.77 DDR1 (0.52) KMT2ADRD2

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
WO-2024105007-A1 AUTOPHAGY INDUCING COMPOUNDS AND USES THEREOF Samsara Therapeutics Inc. (US) 2024-05-23 WO disclosed