SCHEMBL2468441

SCHEMBL2468441

O=C(Nc1ccnc(Cl)c1)Oc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nn1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCD O00767 10/20 0.58
DCTPP1 Q9H773 2/20 0.49
NPY2R P49146 1/20 0.49

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
SCHEMBL2470144 0.90 SCD (0.62) SCDDCTPP1NPY2R
SCHEMBL2469971 0.89 SCD (0.61) SCDDCTPP1NPY2R
SCHEMBL2468540 0.89 SCD (0.62) SCDDCTPP1
SCHEMBL2474516 0.88 SCD (0.74) SCDDCTPP1
SCHEMBL2469795 0.88 SCD (0.71) SCDDCTPP1
SCHEMBL2469803 0.88 SCD (0.59) SCDDCTPP1NPY2R
SCHEMBL936785 0.87 SCD (0.77) SCDDCTPP1
SCHEMBL2468520 0.87 SCD (0.58) SCDDCTPP1NPY2R
SCHEMBL2465005 0.86 SCD (0.60) SCDDCTPP1
SCHEMBL2466635 0.86 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