SCHEMBL20145211

SCHEMBL20145211

COc1ccc(C(=O)N2CCCCC(Oc3cnc(C(F)(F)F)cn3)C2)c(-n2nccn2)c1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.57
HCRTR2 O43614 12/20 0.57

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
SCHEMBL20144947 0.98 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL20145025 0.88 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144913 0.88 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144805 0.84 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL18697756 0.84 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL20144765 0.83 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL20144754 0.81 HCRTR1 (0.72) HCRTR1HCRTR2
SCHEMBL20145040 0.81 HCRTR1 (0.72) HCRTR1HCRTR2
SCHEMBL16148428 0.81 HCRTR1 (0.82) HCRTR1HCRTR2
SCHEMBL20144858 0.80 HCRTR1 (0.53) 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