SCHEMBL20144958

SCHEMBL20144958

COc1c(F)cccc1C(=O)N1CCCC(Nc2cnc3ccccc3n2)C1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 11/20 0.69
PDE2A O00408 1/20 0.51
HCRTR1 O43613 5/20 0.46
GFER P55789 1/20 0.44
EGFR P00533 2/20 0.44
ITK Q08881 1/20 0.44
BTK Q06187 1/20 0.44

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
SCHEMBL18697565 1.00 HCRTR2 (0.69) HCRTR2PDE2AHCRTR1GFEREGFR
SCHEMBL20144883 0.84 HCRTR2 (0.68) HCRTR2PDE2AHCRTR1GFEREGFR
SCHEMBL20144748 0.82 HCRTR2 (0.69) HCRTR2PDE2AHCRTR1
SCHEMBL18697634 0.82 HCRTR2 (0.69) HCRTR2PDE2AHCRTR1
SCHEMBL16148117 0.82 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL16030109 0.82 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL16030110 0.82 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL16078138 0.82 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL16032561 0.82 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL20144897 0.81 HCRTR2 (0.68) HCRTR2HCRTR1

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