SCHEMBL2463392

SCHEMBL2463392

CC1(C)CC1(C)C.O=C(O)Nc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nn1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCD O00767 16/20 0.63
DCTPP1 Q9H773 2/20 0.58

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
SCHEMBL938463 0.94 SCD (0.70) SCDDCTPP1
Cyclopropane SCHEMBL2470823 0.92 SCD (0.67) SCDDCTPP1
SCHEMBL2470950 0.89 SCD (0.63) SCDDCTPP1
SCHEMBL5606419 0.87 SCD (0.66) SCDDCTPP1
SCHEMBL2473856 0.87 SCD (0.61) SCDDCTPP1
SCHEMBL937640 0.86 SCD (0.60) SCDDCTPP1
SCHEMBL27634113 0.85 SCD (0.68) SCDDCTPP1
SCHEMBL937689 0.84 SCD (0.59) SCDDCTPP1
SCHEMBL1380358 0.83 SCD (0.63) SCDDCTPP1
SCHEMBL938594 0.83 SCD (0.74) 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