SCHEMBL5310684

SCHEMBL5310684

CCNC(=O)c1ccc(N2C=CCN(C(=O)c3c(F)cccc3C(F)(F)F)C2=O)nc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.40
TYK2 P29597 3/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
RORC P51449 4/20 0.37
CRACR2A Q9BSW2 1/20 0.35
EGLN1 Q9GZT9 2/20 0.35
GABRA5 P31644 2/20 0.33
MPL P40238 2/20 0.33
P2RX7 Q99572 2/20 0.33
ITGA4 P13612 1/20 0.33

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
SCHEMBL5309303 0.91 SCD (0.44) SCDRORCCRACR2AEGLN1MPL
SCHEMBL5309835 0.88 SCD (0.51) SCDEGLN1
SCHEMBL5310683 0.85 SCD (0.42) SCDTYK2JAK2JAK1JAK3
SCHEMBL5312021 0.82 SCD (0.42) SCDTYK2JAK2JAK1JAK3
SCHEMBL5309661 0.81 SCD (0.53) SCDEGLN1
SCHEMBL5309158 0.80 SCD (0.52) SCD
SCHEMBL5315085 0.79 SCD (0.51) SCD
SCHEMBL5315103 0.79 SCD (0.51) SCD
SCHEMBL5309652 0.78 SCD (0.54) SCDEGLN1
SCHEMBL5307539 0.78 SCD (0.47) SCD

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