SCHEMBL20144985

SCHEMBL20144985

Cc1cnc(C(=O)N2CCC[C@@H](Nc3ccc(Br)cn3)C2)c(-n2nccn2)c1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.69
HCRTR2 O43614 12/20 0.69

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
SCHEMBL20145017 1.00 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20144804 0.87 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL18697635 0.87 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144844 0.86 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20144932 0.83 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20145124 0.82 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL20144928 0.82 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL20145110 0.81 HCRTR2 (0.66) HCRTR1HCRTR2
SCHEMBL20144961 0.81 HCRTR2 (0.66) HCRTR1HCRTR2
SCHEMBL16031798 0.81 HCRTR1 (1.00) 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