SCHEMBL19190870

SCHEMBL19190870

CC(C)(C)C(=O)N1C(=O)C(O)C[C@H]1CCc1ccc(-c2cc(CCl)ccc2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 15/20 0.39
HCRTR1 O43613 3/20 0.34
HCRTR2 O43614 3/20 0.34
FFAR1 O14842 1/20 0.33

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
SCHEMBL18724747 0.82 FFAR4 (0.39) FFAR4HCRTR1HCRTR2
SCHEMBL16939239 0.82 FFAR4 (0.39) FFAR4HCRTR1HCRTR2
SCHEMBL19573831 0.80 FFAR1 (0.38) FFAR4FFAR1
SCHEMBL14900588 0.73 RORC (0.39) FFAR4
SCHEMBL18027484 0.72 FFAR4 (0.39) FFAR4HCRTR1HCRTR2
SCHEMBL14919044 0.69 GRM2 (0.42)
SCHEMBL14890375 0.69 GRM2 (0.42)
SCHEMBL9929765 0.69 CYP3A4 (0.36)
SCHEMBL18175828 0.69 CYP3A4 (0.36)
SCHEMBL18874807 0.68 NR1H2 (0.41) FFAR4

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-3199517-A1 NEPRILYSIN INHIBITORS Theravance Biopharma R&D IP, LLC (US) 2017-08-02 EP disclosed