SCHEMBL20040280

SCHEMBL20040280

CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)c1cccc2cccnc12

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 18/20 0.61
HCRTR2 O43614 15/20 0.61
PREP P48147 1/20 0.54
KDM4E B2RXH2 1/20 0.54
POLB P06746 1/20 0.54

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
SCHEMBL20040278 1.00 HCRTR1 (0.61) HCRTR1HCRTR2PREPKDM4EPOLB
SCHEMBL15184286 0.84 HCRTR1 (0.60) HCRTR1HCRTR2PREPKDM4EPOLB
SCHEMBL16279291 0.84 HCRTR1 (0.60) HCRTR1HCRTR2PREPKDM4EPOLB
SCHEMBL6980865 0.83 KDM4E (0.61) HCRTR1HCRTR2PREPKDM4EPOLB
SCHEMBL5230555 0.82 CNR1 (0.63) HCRTR1HCRTR2KDM4E
SCHEMBL1571858 0.80 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL20040255 0.79 HCRTR1 (0.95) HCRTR1HCRTR2
SCHEMBL20040316 0.79 HCRTR1 (0.95) HCRTR1HCRTR2
SCHEMBL14410594 0.78 KDM1A (0.46) HCRTR1HCRTR2KDM4EPOLB
SCHEMBL4664834 0.78 KDM4E (0.65) HCRTR1HCRTR2PREPKDM4E

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-2811997-B1 SUBSTITUTED PROLINES/PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS EOLAS THERAPEUTICS INC (US) 2018-04-11 EP disclosed