SCHEMBL20145154

SCHEMBL20145154

O=C(c1cccc(F)c1-c1ncco1)N1CCCC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.64
HCRTR2 O43614 15/20 0.64

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
SCHEMBL20144796 0.98 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL20144992 0.86 HCRTR2 (0.51) HCRTR1HCRTR2
SCHEMBL20144800 0.86 HCRTR2 (0.51) HCRTR1HCRTR2
SCHEMBL18697741 0.86 HCRTR2 (0.51) HCRTR1HCRTR2
SCHEMBL20145044 0.86 HCRTR2 (0.51) HCRTR1HCRTR2
SCHEMBL20145071 0.86 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL20144770 0.86 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL20144966 0.85 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20144829 0.85 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20144935 0.84 HCRTR1 (0.54) HCRTR1HCRTR2

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