SCHEMBL20145034

SCHEMBL20145034

C=CO/C(=N\C)c1cc(C)cnc1C(=O)N1CCC[C@@H](Nc2nc3ccccc3o2)C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 10/20 0.47
HCRTR2 O43614 7/20 0.47
SSTR5 P35346 1/20 0.39
EGFR P00533 3/20 0.38
BTK Q06187 3/20 0.38
CCNK O75909 4/20 0.38
CCNA2 P20248 4/20 0.38
CDK2 P24941 4/20 0.38
CDK7 P50613 4/20 0.38
CCNH P51946 4/20 0.38
MNAT1 P51948 4/20 0.38
CDK12 Q9NYV4 4/20 0.38
GFER P55789 1/20 0.38
JAK3 P52333 1/20 0.37
ITK Q08881 1/20 0.37

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
SCHEMBL20144863 0.80 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL20144795 0.77 HCRTR1 (0.72) HCRTR1HCRTR2SSTR5GFER
SCHEMBL20144965 0.77 HCRTR1 (0.72) HCRTR1HCRTR2SSTR5GFER
SCHEMBL20144890 0.72 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20145121 0.72 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20145005 0.69 HCRTR1 (0.69) HCRTR1HCRTR2CCNKCCNA2CDK2
SCHEMBL18697666 0.69 HCRTR1 (0.69) HCRTR1HCRTR2CCNKCCNA2CDK2
SCHEMBL20144909 0.69 HCRTR1 (0.70) HCRTR1HCRTR2GFER
SCHEMBL20144833 0.68 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL20144729 0.67 HCRTR1 (0.46) HCRTR1HCRTR2SSTR5EGFRBTK

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