SCHEMBL20145005

SCHEMBL20145005

O=C(c1ccc(F)cc1-c1ncccn1)N1CCCC(Nc2nc3ccccc3o2)C1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 14/20 0.69
HCRTR2 O43614 9/20 0.48
GFER P55789 2/20 0.48
CCNK O75909 2/20 0.42
CCNA2 P20248 2/20 0.42
CDK2 P24941 2/20 0.42
CDK7 P50613 2/20 0.42
CCNH P51946 2/20 0.42
MNAT1 P51948 2/20 0.42
CDK12 Q9NYV4 2/20 0.42
OPRK1 P41145 1/20 0.42

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
SCHEMBL18697666 1.00 HCRTR1 (0.69) HCRTR1HCRTR2GFERCCNKCCNA2
SCHEMBL20144924 0.84 HCRTR1 (0.69) HCRTR1HCRTR2OPRK1
SCHEMBL16148240 0.82 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16148238 0.82 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL20145121 0.81 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144890 0.81 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL17020864 0.78 HCRTR1 (0.76) HCRTR1HCRTR2
SCHEMBL20144833 0.77 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL20144926 0.77 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL20144885 0.76 HCRTR1 (0.69) 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