SCHEMBL20144802

SCHEMBL20144802

Cc1ccc(-n2nccn2)c(C(=O)N2CCCC(Nc3cc(C)nc(C(F)(F)F)n3)C2)c1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.70
HCRTR2 O43614 18/20 0.70

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
SCHEMBL18697728 1.00 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144803 0.84 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL16031692 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16148930 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16078112 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16031691 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL20144810 0.77 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL18697649 0.77 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL20144733 0.77 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL20144875 0.77 HCRTR1 (0.71) 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