SCHEMBL20145245

SCHEMBL20145245

Cc1cnc(C(=O)N2CCC[C@@H](N(C)c3nc4ccccc4o3)C2)c(-n2nccn2)c1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.72
HCRTR2 O43614 12/20 0.58

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
SCHEMBL20145170 1.00 HCRTR1 (0.72) HCRTR1HCRTR2
SCHEMBL17521757 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16148331 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16148330 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL20144863 0.82 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL16030099 0.74 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL18696164 0.72 HCRTR1 (0.78) HCRTR1HCRTR2
SCHEMBL17521764 0.72 HCRTR1 (0.78) HCRTR1HCRTR2
SCHEMBL18697664 0.72 HCRTR1 (0.78) HCRTR1HCRTR2
SCHEMBL5243748 0.70 CXCR3 (0.48) HCRTR1

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