SCHEMBL20144923

SCHEMBL20144923

Cc1ccc(C(=O)N2CCCC(Nc3cnc(C(F)(F)F)cn3)C2)c(-n2ccnn2)n1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.72
HCRTR2 O43614 11/20 0.72
CCNK O75909 1/20 0.47
CDK12 Q9NYV4 1/20 0.47

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
SCHEMBL18697654 1.00 HCRTR1 (0.72) HCRTR1HCRTR2CCNKCDK12
SCHEMBL18697767 0.90 HCRTR1 (0.72) HCRTR1HCRTR2
SCHEMBL20144987 0.90 HCRTR1 (0.72) HCRTR1HCRTR2
SCHEMBL20144899 0.87 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144956 0.87 HCRTR1 (0.72) HCRTR1HCRTR2
SCHEMBL20145032 0.86 HCRTR1 (0.71) HCRTR1HCRTR2CCNKCDK12
SCHEMBL16031264 0.84 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL20145235 0.80 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL16081447 0.79 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16040622 0.79 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