SCHEMBL2489833

SCHEMBL2489833

O=C(Nc1nc(-c2ccccc2)c(Cc2ccccc2)s1)[C@@H]1CCCN1C(=O)CC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLTP P55058 6/20 0.46
RORC P51449 1/20 0.44
HCRTR1 O43613 7/20 0.42
HCRTR2 O43614 7/20 0.42
CNR2 P34972 2/20 0.42
DGAT1 O75907 1/20 0.40
TRPV4 Q9HBA0 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL2486886 1.00 PLTP (0.46) PLTPRORCHCRTR1HCRTR2CNR2
SCHEMBL2313309 1.00 PLTP (0.46) PLTPRORCHCRTR1HCRTR2CNR2
SCHEMBL2487557 0.98 PLTP (0.46) PLTPRORCHCRTR1HCRTR2CNR2
SCHEMBL2318053 0.98 PLTP (0.46) PLTPRORCHCRTR1HCRTR2CNR2
SCHEMBL2488142 0.98 PLTP (0.46) PLTPRORCHCRTR1HCRTR2CNR2
SCHEMBL2318323 0.86 RORC (0.42) PLTPRORCDGAT1ALDH1A1
SCHEMBL2485500 0.86 RORC (0.42) PLTPRORCDGAT1ALDH1A1
SCHEMBL2487013 0.85 RORC (0.42) PLTPRORCDGAT1ALDH1A1
SCHEMBL2313536 0.85 RORC (0.42) PLTPRORCDGAT1ALDH1A1
SCHEMBL2487161 0.84 ADORA3 (0.55) ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2380631-A1 Heteroaryl derivatives as DGAT1 inhibitors Novartis AG (CH) 2011-10-26 EP disclosed