SCHEMBL70937

SCHEMBL70937

O=C(NCC(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1)c1cc(-c2ccccc2OCc2ccccc2)[nH]n1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCD O00767 10/20 0.47
EPHX2 P34913 1/20 0.43
CCR2 P41597 4/20 0.39
MGLL Q99685 1/20 0.38

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
SCHEMBL72704 0.88 SCD (0.46) SCDEPHX2CCR2
SCHEMBL29385267 0.88 SCD (0.47) SCDEPHX2CCR2
SCHEMBL70152 0.88 EPHX2 (0.46) SCDEPHX2CCR2
SCHEMBL29385279 0.88 EPHX2 (0.46) SCDEPHX2CCR2
SCHEMBL29382110 0.88 EPHX2 (0.46) SCDEPHX2CCR2
SCHEMBL69854 0.88 SCD (0.47) SCDEPHX2CCR2
SCHEMBL70856 0.88 EPHX2 (0.46) SCDEPHX2CCR2
SCHEMBL68443 0.87 EPHX2 (0.49) SCDEPHX2CCR2
SCHEMBL29382083 0.87 EPHX2 (0.49) SCDEPHX2CCR2
SCHEMBL70227 0.85 SCD (0.55) SCD

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-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 EP disclosed