SCHEMBL20145000

SCHEMBL20145000

COc1ccc(C(=O)N2CCCC(Nc3cnc(Cl)cn3)C2)c(-n2nccn2)c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 15/20 0.55
HCRTR2 O43614 11/20 0.55
CCNK O75909 1/20 0.50
CDK12 Q9NYV4 1/20 0.50
GAA P10253 1/20 0.49
GFER P55789 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
SCHEMBL20144971 0.91 HCRTR1 (0.55) HCRTR1HCRTR2GAAGFER
SCHEMBL18697651 0.91 HCRTR1 (0.55) HCRTR1HCRTR2GAAGFER
SCHEMBL20145252 0.89 HCRTR1 (0.69) HCRTR1HCRTR2CCNKCDK12GFER
SCHEMBL20144892 0.89 HCRTR1 (0.69) HCRTR1HCRTR2CCNKCDK12GFER
SCHEMBL20145040 0.88 HCRTR1 (0.72) HCRTR1HCRTR2
SCHEMBL20144754 0.88 HCRTR1 (0.72) HCRTR1HCRTR2
SCHEMBL18697732 0.86 HCRTR1 (0.56) HCRTR1HCRTR2CCNKCDK12GAA
SCHEMBL20144917 0.86 HCRTR1 (0.56) HCRTR1HCRTR2CCNKCDK12GAA
SCHEMBL18697655 0.85 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL20144746 0.85 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