SCHEMBL20144816

SCHEMBL20144816

Cc1cc(C)nc(NC2CCCN(C(=O)c3ccccc3-n3nccn3)C2)n1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 20/20 0.66
HCRTR1 O43613 18/20 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
SCHEMBL18697815 1.00 HCRTR2 (0.66) HCRTR2HCRTR1
SCHEMBL18697649 0.88 HCRTR1 (0.68) HCRTR2HCRTR1
SCHEMBL20144733 0.88 HCRTR1 (0.68) HCRTR2HCRTR1
SCHEMBL20144933 0.88 HCRTR1 (0.68) HCRTR2HCRTR1
SCHEMBL18697814 0.88 HCRTR1 (0.68) HCRTR2HCRTR1
SCHEMBL18697641 0.86 HCRTR2 (0.66) HCRTR2HCRTR1
SCHEMBL20145146 0.86 HCRTR2 (0.66) HCRTR2HCRTR1
SCHEMBL20144846 0.85 HCRTR1 (0.68) HCRTR2HCRTR1
SCHEMBL20144820 0.82 HCRTR2 (0.65) HCRTR2HCRTR1
SCHEMBL20144741 0.82 HCRTR2 (0.65) HCRTR2HCRTR1

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