SCHEMBL22877019

SCHEMBL22877019

Cc1nc(C(F)(F)F)cnc1NC1CCCC1C

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 16/20 0.54
HCRTR2 O43614 2/20 0.39
LATS1 O95835 3/20 0.39
LATS2 Q9NRM7 3/20 0.39

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
SCHEMBL17166533 0.86 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL17166360 0.85 HCRTR1 (0.41) HCRTR1HCRTR2LATS1LATS2
SCHEMBL17017337 0.85 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL17028066 0.83 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL17007140 0.83 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL22877014 0.80 GABBR2 (0.49) HCRTR1
SCHEMBL17007313 0.80 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL17007306 0.72 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17028043 0.72 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17007202 0.72 HCRTR1 (1.00) HCRTR1HCRTR2

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-3107898-B1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2021-01-06 EP disclosed