SCHEMBL20145074

SCHEMBL20145074

Cc1cnc(-c2ncccn2)c(C(=O)N2CCCC(Oc3ncc(C(F)(F)F)cc3Cl)C2)c1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 16/20 0.54
HCRTR2 O43614 4/20 0.46
MAP3K12 Q12852 1/20 0.40

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
SCHEMBL20145204 0.93 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL20145093 0.91 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL18697578 0.91 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL20145287 0.90 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL18697740 0.87 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL20144871 0.87 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL20145266 0.86 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL20144785 0.86 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL20145062 0.85 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL18697838 0.85 HCRTR1 (0.70) 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