SCHEMBL20145124

SCHEMBL20145124

Cc1cnc(C(=O)N2CCC[C@@H](Nc3ncc(Cl)cn3)C2)c(-n2nccn2)c1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 14/20 0.68
HCRTR2 O43614 10/20 0.53
CCNK O75909 6/20 0.47
CDK12 Q9NYV4 6/20 0.47

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
SCHEMBL20144928 1.00 HCRTR1 (0.68) HCRTR1HCRTR2CCNKCDK12
SCHEMBL18697765 0.88 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20144877 0.88 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20144988 0.86 HCRTR1 (0.68) HCRTR1HCRTR2CCNKCDK12
SCHEMBL18697535 0.86 HCRTR1 (0.68) HCRTR1HCRTR2CCNKCDK12
SCHEMBL20144844 0.85 HCRTR1 (0.69) HCRTR1HCRTR2CCNKCDK12
SCHEMBL20144985 0.82 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20145017 0.82 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL16147938 0.81 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16147939 0.81 HCRTR1 (1.00) 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