SCHEMBL993493

SCHEMBL993493

O=C(NCCC1CC1)c1ccc(N2CCN(c3ncnc4ccccc34)CC2)nn1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCD O00767 12/20 0.58
DRD2 P14416 1/20 0.51
DRD3 P35462 1/20 0.51

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
SCHEMBL15190399 0.84 SORD (0.44) SCDDRD2DRD3
SCHEMBL992966 0.83 SCD (0.58) SCDDRD2DRD3
SCHEMBL993242 0.82 SCD (0.64) SCD
SCHEMBL993819 0.80 HRH4 (0.54)
SCHEMBL2468860 0.79 SCD (0.65) SCD
SCHEMBL5596966 0.78 SCD (0.72) SCD
SCHEMBL992405 0.78 SCD (0.70) SCD
SCHEMBL992509 0.78 SCD (0.57) SCD
SCHEMBL992629 0.78 SCD (0.57) SCD
SCHEMBL1378079 0.78 SCD (0.73) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026360-B2 Substituted pyridazines as stearoyl-CoA desaturase inhibitors XENON PHARMACEUTICALS INC. (CA) 2011-09-27 US claimed
EP-2269610-A2 Heterocyclic derivatives and their use as stearoyl-coa desaturase inhibitors Xenon Pharmaceuticals Inc. (CA) 2011-01-05 EP claimed
US-8026360-B2 Substituted pyridazines as stearoyl-CoA desaturase inhibitors XENON PHARMACEUTICALS INC. (CA) 2011-09-27 US disclosed
EP-2269610-A2 Heterocyclic derivatives and their use as stearoyl-coa desaturase inhibitors Xenon Pharmaceuticals Inc. (CA) 2011-01-05 EP disclosed