SCHEMBL2468541

SCHEMBL2468541

CC(C)CCNC(=O)Oc1ccc(N2CCN(C(=O)c3ccccc3Cl)CC2)nn1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCD O00767 9/20 0.55
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GBA1 P04062 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL2464511 0.89 L3MBTL1 (0.56) SCDKDM4EALDH1A1HSD17B10L3MBTL1
SCHEMBL2468543 0.89 SCD (0.55) SCD
SCHEMBL2469229 0.87 SCD (0.74) SCD
SCHEMBL2462941 0.86 SCD (0.52) SCD
SCHEMBL2463401 0.86 SCD (0.52) SCDALDH1A1
SCHEMBL1379051 0.84 SCD (0.75) SCD
SCHEMBL2464963 0.83 SCD (0.49) SCDKDM4EALDH1A1
SCHEMBL2464967 0.82 SCD (0.67) SCD
SCHEMBL2466638 0.79 SCD (0.59) SCD
SCHEMBL2464895 0.79 SCD (0.59) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648874-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2011-10-05 EP claimed
EP-1846035-B1 COMBINATION THERAPY XENON PHARMACEUTICALS INC (CA) 2011-09-21 EP claimed