SCHEMBL16493545

SCHEMBL16493545

CCC(C)CNC(=O)c1ccc(N2CCN(C(=O)CC(C)CC)CC2)nc1.CCC(CC)C(=O)N1CCN(c2ccc(C(=O)NC(C)CC(C)C)cn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.41
NAMPT P43490 2/20 0.36
FOLH1 Q04609 1/20 0.36
P2RY12 Q9H244 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
USP30 Q70CQ3 2/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
ENPP2 Q13822 3/20 0.36
PRMT5 O14744 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC1 Q13547 1/20 0.35
TIPARP Q7Z3E1 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
RET P07949 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL3673395 0.90 SCD (0.43) SCDFOLH1P2RY12SMN1; SMN2KDM4E
SCHEMBL3669499 0.88 SCD (0.44) SCDFOLH1P2RY12SMN1; SMN2KDM4E
SCHEMBL3670572 0.87 SCD (0.47) SCDNAMPTFOLH1P2RY12SMN1; SMN2
SCHEMBL3671024 0.87 SCD (0.47) SCDNAMPTFOLH1P2RY12SMN1; SMN2
SCHEMBL3668366 0.81 SCD (0.43) SCDNAMPTFOLH1P2RY12SMN1; SMN2
SCHEMBL3667718 0.79 SCD (0.61) SCDNAMPTFOLH1P2RY12SMN1; SMN2
SCHEMBL3675936 0.79 HPGD (0.47) SCDNAMPTFOLH1P2RY12SMN1; SMN2
SCHEMBL3669106 0.77 SCD (0.49) SCDNAMPTFOLH1P2RY12SMN1; SMN2
SCHEMBL3671047 0.77 ME2 (0.46) SCDFOLH1P2RY12USP30ALDH1A1
SCHEMBL3667701 0.77 ME2 (0.46) SCDNAMPTFOLH1P2RY12SMN1; SMN2

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
EP-1763350-B1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2011-12-21 EP claimed