SCHEMBL5035442

SCHEMBL5035442

CCN(CC)C(=O)Oc1c(C(=O)C=Cc2ccccc2)ccn2c(C)c(C)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.48
MAOA P21397 2/20 0.48
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
ATP4A P20648 2/20 0.42
ATP4B P51164 2/20 0.42
NPC1 O15118 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BCHE P06276 2/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
RAB9A P51151 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ABCB1 P08183 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL5035441 1.00 MAOB (0.48) MAOBMAOACYP1A1CYP1B1ATP4A
SCHEMBL5035271 0.81 ATP4A (0.40) MAOBMAOAATP4AATP4BNPC1
SCHEMBL5035431 0.81 ATP4A (0.40) MAOBMAOAATP4AATP4BNPC1
SCHEMBL5032878 0.77 TSHR (0.38) ATP4AATP4BNPC1LMNAMAPT
SCHEMBL6811323 0.71 ATP4A (0.44) ATP4AATP4BNPC1BCHELMNA
SCHEMBL5041735 0.71 CYP1A2 (0.50) ATP4AATP4BNPC1L3MBTL1LMNA
SCHEMBL5840203 0.65 MAPT (0.44) MAOBMAOACYP1A1CYP1B1ATP4A
SCHEMBL5839831 0.65 JAK2 (0.46) MAOBMAOACYP1A1CYP1B1ATP4A
SCHEMBL5839829 0.65 JAK2 (0.46) MAOBMAOACYP1A1CYP1B1ATP4A
SCHEMBL30954418 0.61 LMNA (0.58) MAOBCYP1B1ATP4AATP4BNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0984969-B1 FUSED DIHYDROPYRANS NYCOMED GMBH (DE) 2008-07-09 EP disclosed
US-6160119-A Fused dihydropyrans BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-12-12 US disclosed
EP-0984969-A1 FUSED DIHYDROPYRANS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2000-03-15 EP disclosed
WO-1998054188-A1 FUSED DIHYDROPYRANS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-12-03 WO disclosed