SCHEMBL20144883

SCHEMBL20144883

COc1c(F)cccc1C(=O)N1CCCC(Nc2ccc(Br)cn2)C1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 9/20 0.68
HCRTR1 O43613 3/20 0.61
OPRK1 P41145 1/20 0.61
PDE2A O00408 1/20 0.50
GFER P55789 1/20 0.44
GAA P10253 1/20 0.44
EGFR P00533 2/20 0.43
ITK Q08881 1/20 0.43
BTK Q06187 1/20 0.43

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
SCHEMBL20144748 0.88 HCRTR2 (0.69) HCRTR2HCRTR1OPRK1PDE2A
SCHEMBL18697634 0.88 HCRTR2 (0.69) HCRTR2HCRTR1OPRK1PDE2A
SCHEMBL18697565 0.84 HCRTR2 (0.69) HCRTR2HCRTR1PDE2AGFEREGFR
SCHEMBL20144958 0.84 HCRTR2 (0.69) HCRTR2HCRTR1PDE2AGFEREGFR
SCHEMBL16031268 0.81 HCRTR2 (1.00) HCRTR2HCRTR1OPRK1
SCHEMBL16033360 0.81 HCRTR2 (1.00) HCRTR2HCRTR1OPRK1
SCHEMBL16031266 0.81 HCRTR2 (1.00) HCRTR2HCRTR1OPRK1
SCHEMBL16078136 0.81 HCRTR2 (1.00) HCRTR2HCRTR1OPRK1
SCHEMBL20145234 0.80 HCRTR2 (0.67) HCRTR2HCRTR1
SCHEMBL20144919 0.80 HCRTR2 (0.67) 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