SCHEMBL20144949

SCHEMBL20144949

Cc1ccc(-n2nccn2)c(C(=O)N2CCCC(Oc3ncc(Cl)cn3)C2)n1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.68
HCRTR2 O43614 11/20 0.51

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
SCHEMBL20144786 0.89 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20145014 0.89 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144968 0.82 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL16148325 0.81 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL20144957 0.81 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL20145129 0.80 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144852 0.80 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144895 0.80 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144862 0.78 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20144854 0.78 HCRTR1 (0.72) 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