SCHEMBL20144729

SCHEMBL20144729

Cc1ccc(C(=O)N2CCCC(Nc3nc4ccccc4o3)C2)c(N(N)/C=C\N)n1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 11/20 0.46
HCRTR2 O43614 8/20 0.46
GFER P55789 1/20 0.42
OPRK1 P41145 1/20 0.40
BTK Q06187 3/20 0.39
RORC P51449 1/20 0.38
SSTR5 P35346 1/20 0.37
EGFR P00533 2/20 0.36

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
SCHEMBL20144909 0.80 HCRTR1 (0.70) HCRTR1HCRTR2GFEROPRK1
SCHEMBL20145082 0.77 HCRTR1 (0.45) HCRTR1HCRTR2GFER
SCHEMBL20145018 0.77 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL20145022 0.76 HCRTR1 (0.47) HCRTR1HCRTR2GFER
SCHEMBL20144890 0.75 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20145121 0.75 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144833 0.73 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL18697666 0.71 HCRTR1 (0.69) HCRTR1HCRTR2GFEROPRK1
SCHEMBL20145005 0.71 HCRTR1 (0.69) HCRTR1HCRTR2GFEROPRK1
SCHEMBL20144924 0.70 HCRTR1 (0.69) HCRTR1HCRTR2OPRK1

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