SCHEMBL20040273

SCHEMBL20040273

Cc1cccc(NCC2[C@H](C)CCCN2C(=O)c2nc(C)sc2-c2ccc(F)cc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 1.00
HCRTR2 O43614 10/20 1.00

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
SCHEMBL15175583 1.00 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16278223 1.00 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL15176453 0.91 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16278310 0.91 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL15184269 0.88 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16277861 0.88 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4547533 0.87 HCRTR1 (0.77) HCRTR1HCRTR2
SCHEMBL16277481 0.86 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL15184238 0.86 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL18734917 0.86 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-2811997-B1 SUBSTITUTED PROLINES/PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS EOLAS THERAPEUTICS INC (US) 2018-04-11 EP disclosed