SCHEMBL2487557

SCHEMBL2487557

O=C(Nc1nc(-c2ccccc2)c(Cc2ccccc2)s1)[C@@H]1CCCCN1C(=O)CC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLTP P55058 6/20 0.46
RORC P51449 1/20 0.44
CNR2 P34972 3/20 0.44
TRPV4 Q9HBA0 3/20 0.42
CNR1 P21554 1/20 0.41
HCRTR1 O43613 3/20 0.41
HCRTR2 O43614 3/20 0.41
DGAT1 O75907 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KCNQ1 P51787 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL2488142 1.00 PLTP (0.46) PLTPRORCCNR2TRPV4CNR1
SCHEMBL2318053 1.00 PLTP (0.46) PLTPRORCCNR2TRPV4CNR1
SCHEMBL2313309 0.98 PLTP (0.46) PLTPRORCCNR2TRPV4HCRTR1
SCHEMBL2486886 0.98 PLTP (0.46) PLTPRORCCNR2TRPV4HCRTR1
SCHEMBL2489833 0.98 PLTP (0.46) PLTPRORCCNR2TRPV4HCRTR1
SCHEMBL2318323 0.86 RORC (0.42) PLTPRORCDGAT1ALDH1A1ADORA2A
SCHEMBL2485500 0.86 RORC (0.42) PLTPRORCDGAT1ALDH1A1ADORA2A
SCHEMBL2313536 0.85 RORC (0.42) PLTPRORCDGAT1ALDH1A1ADORA2A
SCHEMBL2487013 0.85 RORC (0.42) PLTPRORCDGAT1ALDH1A1ADORA2A
SCHEMBL2314437 0.84 RORC (0.45) PLTPRORCCNR2TRPV4DGAT1

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