SCHEMBL20145164

SCHEMBL20145164

O=C(c1c(F)cccc1-c1ncccn1)N1CCC[C@@H](Nc2ccc(Cl)cn2)C1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.52
HCRTR2 O43614 11/20 0.51
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
SCHEMBL20144983 1.00 HCRTR1 (0.52) HCRTR1HCRTR2CCNKCDK12
SCHEMBL20145041 0.88 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL20144969 0.88 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL20144970 0.85 HCRTR1 (0.52) HCRTR1HCRTR2CCNKCDK12
SCHEMBL16147928 0.81 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL20145079 0.80 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20145098 0.80 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL20145205 0.80 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL20144912 0.79 HCRTR1 (0.56) HCRTR1HCRTR2CCNKCDK12
SCHEMBL18734791 0.78 HCRTR1 (0.82) 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