SCHEMBL13273139

SCHEMBL13273139

O=C(Nc1ccc(N2CCC(c3ccccc3)CC2)nc1)c1nc(-c2ccccc2)oc1F

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 20/20 0.61
SOAT2 O75908 1/20 0.52
SOAT1 P35610 1/20 0.52

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
SCHEMBL13272786 0.93 DGAT1 (0.56) DGAT1SOAT2SOAT1
SCHEMBL2447634 0.89 DGAT1 (0.78) DGAT1SOAT2SOAT1
SCHEMBL13272784 0.83 DGAT1 (0.62) DGAT1
SCHEMBL10296207 0.82 DGAT1 (0.70) DGAT1SOAT2SOAT1
SCHEMBL2512473 0.80 GAA (0.53) DGAT1SOAT2SOAT1
SCHEMBL2540947 0.80 DGAT1 (0.70) DGAT1SOAT2SOAT1
SCHEMBL13273140 0.79 DGAT1 (0.60) DGAT1
SCHEMBL13229422 0.79 DGAT1 (0.80) DGAT1
SCHEMBL595918 0.79 DGAT1 (0.86) DGAT1SOAT2SOAT1
SCHEMBL10296208 0.78 DGAT1 (0.73) DGAT1SOAT2SOAT1

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
WO-2010077861-A1 INHIBITORS OF DIACYLGLYCEROL ACLYTRANSFERASE VIA PHARMACEUTICALS, INC (US) 2010-07-08 WO disclosed