SCHEMBL20144811

SCHEMBL20144811

COc1c(F)cccc1C(=O)N1CCCC(Nc2nc3cc(Cl)ccc3o2)C1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 10/20 0.72
HCRTR1 O43613 8/20 0.48
PDE2A O00408 1/20 0.47
PTGES O14684 1/20 0.43
SSTR5 P35346 1/20 0.42
THRB P10828 1/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL16030414 0.83 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL16030416 0.83 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL16033115 0.83 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL20144959 0.83 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL16078130 0.83 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL20144779 0.82 HCRTR2 (0.71) HCRTR2HCRTR1SSTR5
SCHEMBL20144735 0.80 HCRTR1 (0.69) HCRTR2HCRTR1
SCHEMBL4245283 0.78 GFER (0.51) HCRTR2HCRTR1SSTR5GFER
SCHEMBL4239159 0.78 HCRTR1 (0.51) HCRTR2HCRTR1SSTR5THRB
SCHEMBL3660052 0.78 HCRTR1 (0.51) HCRTR2HCRTR1SSTR5THRB

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