SCHEMBL20144782

SCHEMBL20144782

O=C(c1cccc(F)c1-c1ncccn1)N1CCCC(Nc2cnc(C(F)(F)F)cn2)C1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.69
HCRTR2 O43614 15/20 0.63
CCNK O75909 1/20 0.51
CDK12 Q9NYV4 1/20 0.51

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
SCHEMBL18697644 0.89 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL20144764 0.89 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL20144939 0.85 HCRTR1 (0.66) HCRTR1HCRTR2CCNKCDK12
SCHEMBL20145050 0.85 HCRTR1 (0.66) HCRTR1HCRTR2CCNKCDK12
SCHEMBL20145058 0.84 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL20144937 0.84 HCRTR1 (0.69) HCRTR1HCRTR2CCNKCDK12
SCHEMBL20145105 0.84 HCRTR1 (0.69) HCRTR1HCRTR2CCNKCDK12
SCHEMBL16148060 0.81 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16148059 0.81 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL18697839 0.81 HCRTR1 (0.65) 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