SCHEMBL20144964

SCHEMBL20144964

Cc1cnc(C(=O)N2CCCC(Oc3ncc(C(F)(F)F)cc3F)C2)c(-c2ncccn2)c1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.67
HCRTR2 O43614 6/20 0.53

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
SCHEMBL18697667 1.00 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL20144871 0.91 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL18697740 0.91 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL18697757 0.89 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL20144986 0.89 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL18697846 0.87 HCRTR1 (0.72) HCRTR1HCRTR2
SCHEMBL20144910 0.87 HCRTR1 (0.72) HCRTR1HCRTR2
SCHEMBL18697578 0.87 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL20145093 0.87 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL20145047 0.86 HCRTR1 (0.66) 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