SCHEMBL20145079

SCHEMBL20145079

Cc1cc(C)nc(NC2CCCN(C(=O)c3c(F)cccc3-c3ncccn3)C2)n1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 16/20 0.69
HCRTR2 O43614 15/20 0.69
PDE2A O00408 3/20 0.51

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
SCHEMBL20144846 0.84 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL16031058 0.82 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16078105 0.82 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16031061 0.82 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL20144767 0.81 HCRTR1 (0.67) HCRTR1HCRTR2PDE2A
SCHEMBL18697652 0.81 HCRTR1 (0.67) HCRTR1HCRTR2PDE2A
SCHEMBL20144983 0.80 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL20145164 0.80 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL20145205 0.80 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL20145098 0.80 HCRTR1 (0.64) 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