SCHEMBL3854465

SCHEMBL3854465

Cc1cc(NC(=O)c2ccc3c(c2)CCN(C(=O)O)C3CC(C)C)nn1Cc1ccccc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 20/20 0.46

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
SCHEMBL3847525 0.89 PTGER1 (0.48) PTGER1
SCHEMBL3854464 0.86 PTGER1 (0.42) PTGER1
SCHEMBL3856745 0.84 PTGER1 (0.49) PTGER1
SCHEMBL4795246 0.81 PTGER1 (0.71) PTGER1
SCHEMBL3180838 0.77 PTGER1 (0.61) PTGER1
Hydrochloric Acid SCHEMBL3187915 0.76 PTGER1 (0.61) PTGER1
SCHEMBL3847522 0.75 PTGER1 (0.45) PTGER1
SCHEMBL3186192 0.74 PTGER1 (0.48) PTGER1
SCHEMBL3844837 0.73 PTGER1 (0.61) PTGER1
SCHEMBL3176032 0.72 PTGER1 (0.67) PTGER1

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-2106398-A2 ISOQUINOLINECARBOXAMIDES AS INHIBITORS OF STEAROYL-COA DESATURASE (SCD) SmithKline Beecham Corporation (US) 2009-10-07 EP disclosed
WO-2008074832-A2 ISOQUINOLINECARBOXAMIDES AS INHIBITORS OF STEAROYL-COA DESATURASE ( SCD) SMITHKLINE BEECHAM CORPORATION (US) 2008-06-26 WO disclosed