SCHEMBL20144870

SCHEMBL20144870

O=C(c1ncccc1-c1ncccn1)N1CCC[C@@H](Oc2ccc(Cl)cn2)C1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 15/20 0.66
HCRTR2 O43614 7/20 0.44
RIPK1 Q13546 1/20 0.40
SCN9A Q15858 1/20 0.39
PROKR1 Q8TCW9 1/20 0.39

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
SCHEMBL20145036 1.00 HCRTR1 (0.66) HCRTR1HCRTR2RIPK1SCN9APROKR1
SCHEMBL20144894 0.89 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL20144793 0.89 HCRTR1 (0.51) HCRTR1HCRTR2RIPK1SCN9A
SCHEMBL20144876 0.88 HCRTR1 (0.69) HCRTR1HCRTR2RIPK1PROKR1
SCHEMBL20144950 0.86 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL18697848 0.86 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL20145095 0.85 HCRTR1 (0.51) HCRTR1HCRTR2RIPK1PROKR1
SCHEMBL18697569 0.80 HCRTR1 (0.61) HCRTR1HCRTR2
SCHEMBL20145020 0.80 HCRTR1 (0.61) HCRTR1HCRTR2
SCHEMBL18697568 0.80 HCRTR1 (0.53) HCRTR1HCRTR2PROKR1

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