SCHEMBL20145022

SCHEMBL20145022

Cc1ccc(C(=O)N2CCC[C@@H](Nc3cnc(C(F)(F)F)cn3)C2)c(N(N)/C=C\N)n1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 13/20 0.47
CCNK O75909 2/20 0.46
CDK12 Q9NYV4 2/20 0.46
HCRTR2 O43614 11/20 0.44
GFER P55789 1/20 0.38

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
SCHEMBL20145018 0.90 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL20145082 0.86 HCRTR1 (0.45) HCRTR1CCNKCDK12HCRTR2GFER
SCHEMBL20144899 0.80 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144923 0.78 HCRTR1 (0.72) HCRTR1CCNKCDK12HCRTR2
SCHEMBL18697654 0.78 HCRTR1 (0.72) HCRTR1CCNKCDK12HCRTR2
SCHEMBL20144729 0.76 HCRTR1 (0.46) HCRTR1HCRTR2GFER
SCHEMBL20144904 0.75 HCRTR1 (0.70) HCRTR1CCNKCDK12HCRTR2
SCHEMBL20145171 0.75 HCRTR1 (0.70) HCRTR1CCNKCDK12HCRTR2
SCHEMBL20144860 0.74 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144812 0.71 HCRTR1 (0.68) 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