SCHEMBL4592989

SCHEMBL4592989

O=C(O)CC1CCC(c2ccc(-c3ccc(Nc4cnccn4)cn3)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 19/20 0.69
SOAT1 P35610 2/20 0.43

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
SCHEMBL180684 0.88 DGAT1 (0.67) DGAT1SOAT1
SCHEMBL180790 0.85 DGAT1 (0.66) DGAT1SOAT1
SCHEMBL181103 0.84 DGAT1 (0.76) DGAT1SOAT1
SCHEMBL180745 0.84 DGAT1 (0.69) DGAT1SOAT1
SCHEMBL180905 0.83 DGAT1 (0.68) DGAT1SOAT1
SCHEMBL180500 0.83 DGAT1 (0.66) DGAT1SOAT1
SCHEMBL181083 0.83 DGAT1 (0.66) DGAT1SOAT1
SCHEMBL180517 0.83 DGAT1 (0.66) DGAT1SOAT1
Pradigastat SCHEMBL180536 0.82 DGAT1 (1.00) DGAT1SOAT1
Pradigastat SCHEMBL1289309 0.82 DGAT1 (1.00) DGAT1SOAT1

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-2004607-A2 NEW COMPOUNDS Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007126957-A2 NEW COMPOUNDS NOVARTIS AG (CH) 2007-11-08 WO disclosed