SCHEMBL4435598

SCHEMBL4435598

O=C(O)Cc1cncc(-c2ccc(C3CCC(Oc4cc(F)ccc4Br)CC3)nn2)c1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCD O00767 15/20 0.77
SCD5 Q86SK9 1/20 0.59

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
SCHEMBL3605024 0.87 SCD (1.00) SCDSCD5
SCHEMBL3606200 0.82 SCD (0.57) SCDSCD5
SCHEMBL3611637 0.77 SCD (0.47) SCDSCD5
SCHEMBL14231290 0.77 SCD (0.81) SCDSCD5
SCHEMBL3606618 0.74 SCD (1.00) SCDSCD5
SCHEMBL3606321 0.71 SCD (0.80) SCDSCD5
SCHEMBL3609521 0.71 SCD (1.00) SCDSCD5
SCHEMBL3611686 0.71 SCD (0.72) SCDSCD5
SCHEMBL3599831 0.70 SCD (1.00) SCDSCD5
SCHEMBL13730861 0.68 SCD (0.53) SCDSCD5

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-2076509-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2009-07-08 EP disclosed
WO-2008046226-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2008-04-24 WO disclosed