SCHEMBL20848115

SCHEMBL20848115

CC(NC1CCCc2cccnc21)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
KCNH2 Q12809 2/20 0.42
CYP2D6 P10635 1/20 0.42
CXCR4 P61073 5/20 0.38
ADORA2A P29274 1/20 0.38
P2RX7 Q99572 2/20 0.38
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SCN1A P35498 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
OPRL1 P41146 1/20 0.36

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
SCHEMBL13069026 1.00 GAA (0.47) GAAL3MBTL1HDAC1HDAC6KCNH2
SCHEMBL3083828 0.87 KDM1A (0.42) HDAC1HDAC6KCNH2CXCR4ADORA2A
SCHEMBL4068879 0.87 KDM1A (0.42) HDAC1HDAC6KCNH2CXCR4ADORA2A
SCHEMBL14566706 0.87 KDM1A (0.42) HDAC1HDAC6KCNH2CXCR4ADORA2A
SCHEMBL4887081 0.87 KDM1A (0.42) HDAC1HDAC6KCNH2CXCR4ADORA2A
SCHEMBL4113740 0.86 HDAC1 (0.48) HDAC1HDAC6CYP2D6CXCR4ADORA2A
SCHEMBL4882672 0.86 HDAC1 (0.48) HDAC1HDAC6CYP2D6CXCR4ADORA2A
SCHEMBL13069123 0.84 HDAC1 (0.43) HDAC1HDAC6CYP2D6CXCR4ADORA2A
SCHEMBL4891510 0.77 HDAC1 (0.50) HDAC1HDAC6CYP2D6CXCR4ADORA2A
SCHEMBL3081802 0.77 HDAC1 (0.50) HDAC1HDAC6CYP2D6CXCR4ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019058290-A1 IMPROVED PROCESS FOR THE PREPARATION OF OZANIMOD Α-AMINO COMPOUND SUVEN LIFE SCIENCES LIMITED (IN) 2019-03-28 WO disclosed
CN-101353324-A Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED INC (CA) 2009-01-28 CN disclosed
CN-100412062-C Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED INC (CA) 2008-08-20 CN disclosed
CN-1272322-C Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED INC (CA) 2006-08-30 CN disclosed
CN-1817864-A Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED INC (CA) 2006-08-16 CN disclosed
CN-1608052-A Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED INC (CA) 2005-04-20 CN disclosed