SCHEMBL5312895

SCHEMBL5312895

CC(C)C(C)CNC(=O)c1ccc(N2C=CCN(C(=O)c3ccc(Cl)cc3F)C2)nc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.34
CXCR3 P49682 1/20 0.34
TRPA1 O75762 1/20 0.34
P2RX7 Q99572 4/20 0.34
GABRA5 P31644 1/20 0.34
KMT2A Q03164 1/20 0.34
EGLN1 Q9GZT9 2/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
TP53 P04637 1/20 0.32
MAPK8 P45983 1/20 0.32

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
SCHEMBL5309044 0.91 SCD (0.44) SCDIRAK4P2RX7
SCHEMBL5315122 0.84 SCD (0.39) SCDP2RX7GABRA5EGLN1CYP2C9
SCHEMBL5312893 0.84 SCD (0.41) SCDKMT2AMAPK8
SCHEMBL5310028 0.83 EGLN1 (0.37) SCDIRAK4CXCR3TRPA1P2RX7
SCHEMBL5312064 0.82 SCD (0.43) SCDP2RX7HDAC1HDAC6
SCHEMBL5306365 0.80 SCD (0.40) SCDCXCR3P2RX7GABRA5KMT2A
SCHEMBL5310026 0.78 MAPK8 (0.36) SCDIRAK4CXCR3TRPA1P2RX7
SCHEMBL5309001 0.77 SCD (0.45) SCDCXCR3P2RX7
SCHEMBL5309933 0.75 GABRA5 (0.38) SCDGABRA5EGLN1MAPK8
SCHEMBL5309041 0.74 SCD (0.50) SCDIRAK4P2RX7MAPK8

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-2007046867-A2 PIPERIDINE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2007-04-26 WO disclosed