SCHEMBL20144994

SCHEMBL20144994

Cc1cccc(C(=O)N2CCCC(Oc3ccc(Cl)cn3)C2)c1-c1ncccn1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 15/20 0.53
HCRTR2 O43614 7/20 0.51
PROKR1 Q8TCW9 4/20 0.43

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
SCHEMBL18697568 1.00 HCRTR1 (0.53) HCRTR1HCRTR2PROKR1
SCHEMBL20144972 0.89 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL20145094 0.89 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL18697668 0.87 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20145028 0.87 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144894 0.85 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL18697743 0.83 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144874 0.83 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL18697845 0.83 HCRTR1 (0.69) HCRTR1HCRTR2PROKR1
SCHEMBL20144940 0.83 HCRTR1 (0.69) 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