SCHEMBL20144927

SCHEMBL20144927

Cc1cnc(C(=O)N2CCCC(Nc3ccc(Cl)cn3)C2)c(-c2ncco2)c1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 11/20 0.70
HCRTR2 O43614 8/20 0.70
GFER P55789 2/20 0.43
OPRK1 P41145 3/20 0.43
CCNK O75909 1/20 0.42
CDK12 Q9NYV4 1/20 0.42
PROKR1 Q8TCW9 2/20 0.40

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
SCHEMBL20144889 0.90 HCRTR1 (0.70) HCRTR1HCRTR2GFEROPRK1CCNK
SCHEMBL20144835 0.90 HCRTR1 (0.70) HCRTR1HCRTR2GFEROPRK1CCNK
SCHEMBL20144831 0.90 HCRTR1 (0.70) HCRTR1HCRTR2GFEROPRK1CCNK
SCHEMBL18697778 0.90 HCRTR1 (0.70) HCRTR1HCRTR2GFEROPRK1CCNK
SCHEMBL20144912 0.86 HCRTR1 (0.56) HCRTR1HCRTR2GFERCCNKCDK12
SCHEMBL20144929 0.85 HCRTR1 (0.72) HCRTR1HCRTR2CCNKCDK12
SCHEMBL16031183 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL20144795 0.80 HCRTR1 (0.72) HCRTR1HCRTR2GFEROPRK1
SCHEMBL20144965 0.80 HCRTR1 (0.72) HCRTR1HCRTR2GFEROPRK1
SCHEMBL20145115 0.79 HCRTR1 (0.56) HCRTR1HCRTR2GFERCCNKCDK12

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