SCHEMBL1600478

SCHEMBL1600478

CC(C)CCNC(=O)c1ccc(N2CCN(C(=O)c3ccc(F)cc3C(F)(F)F)CC2)cn1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCD O00767 15/20 0.80
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
NAMPT P43490 1/20 0.43
DCTPP1 Q9H773 1/20 0.43

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
SCHEMBL1599829 0.93 SCD (0.80) SCDHCRTR1HCRTR2NAMPT
SCHEMBL1601541 0.89 SCD (1.00) SCDDCTPP1
SCHEMBL2464954 0.86 SCD (0.59) SCDHCRTR1HCRTR2
SCHEMBL1380395 0.85 SCD (0.79) SCDDCTPP1
SCHEMBL2719681 0.82 SCD (0.55) SCDHCRTR1HCRTR2
SCHEMBL2463361 0.79 SCD (0.59) SCDHCRTR1HCRTR2
SCHEMBL1599640 0.79 SCD (0.88) SCDDCTPP1
SCHEMBL1378951 0.79 SCD (0.79) SCDDCTPP1
SCHEMBL1599652 0.77 SCD (0.80) SCDDCTPP1
SCHEMBL1385471 0.77 SCD (0.78) SCDDCTPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846035-B1 COMBINATION THERAPY XENON PHARMACEUTICALS INC (CA) 2011-09-21 EP claimed
EP-1846035-B1 COMBINATION THERAPY XENON PHARMACEUTICALS INC (CA) 2011-09-21 EP disclosed
US-7919484-B2 Combination therapy XENON PHARMACEUTICALS INC. (CA) 2011-04-05 US disclosed