SCHEMBL20145099

SCHEMBL20145099

Cc1cnc(-c2ncccn2)c(C(=O)N2CCCC(Oc3ccc(Br)cn3)C2)c1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 15/20 0.55
HCRTR2 O43614 11/20 0.42
RIPK1 Q13546 1/20 0.39
KDM5A P29375 1/20 0.39
PROKR1 Q8TCW9 1/20 0.38

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
SCHEMBL20144792 1.00 HCRTR1 (0.55) HCRTR1HCRTR2RIPK1KDM5APROKR1
SCHEMBL20144940 0.90 HCRTR1 (0.69) HCRTR1HCRTR2PROKR1
SCHEMBL18697845 0.90 HCRTR1 (0.69) HCRTR1HCRTR2PROKR1
SCHEMBL20145062 0.87 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL18697838 0.87 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20145019 0.86 HCRTR1 (0.55) HCRTR1HCRTR2RIPK1
SCHEMBL20144979 0.85 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL20145094 0.83 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL20144972 0.83 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL20144976 0.83 HCRTR1 (0.49) 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