SCHEMBL1817135

SCHEMBL1817135

O=C(NCCC1CC1)c1ccc(N2CCC(COc3ccccc3C(F)(F)F)CC2)nn1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCD O00767 10/20 0.68
TTR P02766 1/20 0.52

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
SCHEMBL1815448 0.89 SCD (0.68) SCD
SCHEMBL1816042 0.86 TTR (0.66) SCDTTR
SCHEMBL1817527 0.85 SCD (0.70) SCD
SCHEMBL1815628 0.85 SCD (0.65) SCD
SCHEMBL1818422 0.83 SCD (0.77) SCD
SCHEMBL1813574 0.83 SCD (0.71) SCD
SCHEMBL1379639 0.82 SCD (0.85) SCD
SCHEMBL1813870 0.82 SCD (0.68) SCD
SCHEMBL992405 0.81 SCD (0.70) SCD
SCHEMBL1817580 0.81 SCD (0.67) 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
US-7951805-B2 Heterocyclic derivatives and their use as mediators of stearoyl-CoA desaturase XENON PHARMACEUTICALS INC. (CA) 2011-05-31 US claimed
US-7951805-B2 Heterocyclic derivatives and their use as mediators of stearoyl-CoA desaturase XENON PHARMACEUTICALS INC. (CA) 2011-05-31 US disclosed