SCHEMBL4622608

SCHEMBL4622608

N=C(N)c1sc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)nc1O

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SCD O00767 15/20 0.62

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
SCHEMBL3336698 0.82 SCD (0.70) SCD
SCHEMBL13638368 0.77 SCD (0.64) SCD
SCHEMBL3359207 0.76 SCD (0.61) SCD
SCHEMBL472976 0.76 SCD (1.00) SCD
SCHEMBL473022 0.76 SCD (0.81) SCD
SCHEMBL473029 0.76 SCD (0.73) SCD
SCHEMBL4510390 0.75 SCD (0.59) SCD
SCHEMBL3603794 0.74 SCD (0.74) SCD
SCHEMBL4087208 0.74 SCD (0.73) SCD
SCHEMBL4092978 0.74 SCD (0.72) 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
EP-1902051-A1 AZACYCLOHEXANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2008-03-26 EP disclosed
WO-2006130986-A1 AZACYCLOHEXANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2006-12-14 WO disclosed