SCHEMBL20144808

SCHEMBL20144808

O=C(c1ccccc1-n1nccn1)N1CCCC(Nc2ccc(Cl)cn2)C1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 16/20 0.66
HCRTR2 O43614 15/20 0.66

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
SCHEMBL20145116 1.00 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL20144741 0.89 HCRTR2 (0.65) HCRTR1HCRTR2
SCHEMBL20144827 0.89 HCRTR2 (0.66) HCRTR1HCRTR2
SCHEMBL20144961 0.89 HCRTR2 (0.66) HCRTR1HCRTR2
SCHEMBL20145110 0.89 HCRTR2 (0.66) HCRTR1HCRTR2
SCHEMBL18697745 0.89 HCRTR2 (0.67) HCRTR1HCRTR2
SCHEMBL18697692 0.89 HCRTR2 (0.66) HCRTR1HCRTR2
SCHEMBL20144751 0.89 HCRTR2 (0.67) HCRTR1HCRTR2
SCHEMBL20144828 0.87 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL18697656 0.87 HCRTR1 (0.69) 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