SCHEMBL20145106

SCHEMBL20145106

O=CN1CCCC(Oc2ccc(C(F)(F)F)cn2)C1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.53
LIPE Q05469 9/20 0.48
HSD11B1 P28845 3/20 0.46
HCRTR1 O43613 6/20 0.44
EPHX2 P34913 1/20 0.42
HCRTR2 O43614 1/20 0.42

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
SCHEMBL29138833 0.94 LIPG (0.56) LIPGLIPEHSD11B1HCRTR1EPHX2
SCHEMBL29138811 0.94 LIPG (0.56) LIPGLIPEHSD11B1HCRTR1EPHX2
SCHEMBL29202405 0.86 LIPE (0.56) LIPGLIPEHSD11B1HCRTR1EPHX2
SCHEMBL20145221 0.82 IL1B (0.55) LIPGLIPEHSD11B1HCRTR1
SCHEMBL20144750 0.82 IL1B (0.55) LIPGLIPEHSD11B1HCRTR1
SCHEMBL20145092 0.81 FPR2 (0.43) LIPGLIPEHCRTR1HCRTR2
SCHEMBL20145199 0.80 LIPE (0.55) LIPGLIPEHSD11B1HCRTR1EPHX2
SCHEMBL18855867 0.80 LIPE (0.53) LIPGLIPEHSD11B1EPHX2
SCHEMBL16839482 0.79 LIPE (0.52) LIPGLIPEHSD11B1EPHX2
SCHEMBL30755072 0.79 LIPE (0.52) LIPGLIPEHSD11B1EPHX2

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-2970207-B1 SUBSTITUTED PIPERIDINE COMPOUNDS AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-16 EP disclosed