SCHEMBL20144974

SCHEMBL20144974

CCOc1ccc(C)nc1C(=O)N1CCCC(Nc2ncc(C(F)(F)F)cn2)C1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 11/20 0.70
HCRTR2 O43614 12/20 0.62
CCNK O75909 1/20 0.44
CDK12 Q9NYV4 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL20145031 0.91 HCRTR2 (0.70) HCRTR1HCRTR2
SCHEMBL20144824 0.91 HCRTR2 (0.70) HCRTR1HCRTR2
SCHEMBL20144821 0.83 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL16147703 0.82 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL20144768 0.80 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144867 0.78 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20145088 0.77 HCRTR2 (0.58) HCRTR1HCRTR2KMT2A
SCHEMBL16150288 0.77 HCRTR2 (1.00) HCRTR1HCRTR2
SCHEMBL16040295 0.77 HCRTR2 (1.00) HCRTR1HCRTR2
SCHEMBL16157685 0.77 HCRTR2 (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