SCHEMBL174029

SCHEMBL174029

CC1C2(C(=O)O)CC3CC(C2)CC1(c1ncc(-c2ccc(NC(=O)Nc4ccc(F)c(F)c4F)cc2)s1)C3

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.41
DGAT1 O75907 8/20 0.40
CNR1 P21554 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37

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
SCHEMBL176318 0.90 DGAT1 (0.52) DGAT1
SCHEMBL174155 0.89 DGAT1 (0.51) EPHX2DGAT1CNR1CA12CA1
SCHEMBL176202 0.88 DGAT1 (0.41) EPHX2DGAT1CNR1CA12CA1
SCHEMBL161756 0.84 EPHX2 (0.42) EPHX2DGAT1CNR1CA12CA1
SCHEMBL161985 0.81 EPHX2 (0.41) EPHX2DGAT1CNR1CA12CA1
SCHEMBL161219 0.74 DGAT1 (0.54) EPHX2DGAT1CA12CA1CA2
SCHEMBL164213 0.73 EPHX2 (0.54) EPHX2DGAT1CNR1
SCHEMBL161700 0.73 DGAT1 (0.53) EPHX2DGAT1CNR1CA12CA1
SCHEMBL161059 0.71 CNR1 (0.42) EPHX2DGAT1CNR1CA12CA1
SCHEMBL175829 0.70 DGAT1 (0.50) EPHX2DGAT1CA12CA1CA2

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-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP disclosed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 WO disclosed