SCHEMBL2467641

SCHEMBL2467641

COc1ccc(Cl)cc1NC(=O)Oc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nn1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCD O00767 8/20 0.57
RBP4 P02753 7/20 0.56
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
DCTPP1 Q9H773 1/20 0.47

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
SCHEMBL2470666 0.91 SCD (0.51) SCDDCTPP1
SCHEMBL2467249 0.90 SCD (0.60) SCDDCTPP1
SCHEMBL2464871 0.90 SCD (0.60) SCDDCTPP1
SCHEMBL2471428 0.90 SCD (0.55) SCDDCTPP1
SCHEMBL2466621 0.89 SCD (0.58) SCDDCTPP1
SCHEMBL938240 0.88 SCD (0.71) SCDRBP4DCTPP1
SCHEMBL2471098 0.86 SCD (0.53) SCDDCTPP1
SCHEMBL2476294 0.85 SCD (0.59) SCDDCTPP1
SCHEMBL2474516 0.85 SCD (0.74) SCDDCTPP1
SCHEMBL2465310 0.85 SCD (0.60) 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 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