SCHEMBL19190348

SCHEMBL19190348

CC(C)(C)C(=O)N1C(=O)C(=O)C[C@H]1Cc1ccc(-c2cccc(Cl)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.43
TAAR1 Q96RJ0 2/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
RIPK1 Q13546 1/20 0.39
RORC P51449 1/20 0.38
PGR P06401 1/20 0.37
MAOB P27338 2/20 0.37
MCHR1 Q99705 1/20 0.37
MME P08473 4/20 0.36
MMEL1 Q495T6 4/20 0.36
ACE P12821 2/20 0.36
SLC6A7 Q99884 1/20 0.36

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
SCHEMBL14900527 0.83 GRM2 (0.43) GRM2TAAR1MMP2MMP9MMP8
SCHEMBL14890375 0.82 GRM2 (0.42) GRM2TAAR1MMP2MMP9MMP8
SCHEMBL14919044 0.82 GRM2 (0.42) GRM2TAAR1MMP2MMP9MMP8
SCHEMBL18691797 0.82 GRM2 (0.42) GRM2TAAR1MMP2MMP9MMP8
SCHEMBL18724666 0.78 POLB (0.34) RIPK1
SCHEMBL22639146 0.77 GRM2 (0.41) GRM2TAAR1MMP2MMP9MMP8
SCHEMBL21310317 0.77 GRM2 (0.40) GRM2TAAR1MMP2MMP9MMP8
SCHEMBL1231214 0.77 RIPK1 (0.38) RIPK1MMEACE
SCHEMBL1231216 0.77 RIPK1 (0.38) RIPK1MMEACE
SCHEMBL8012442 0.75 RIPK1 (0.37) RIPK1MMEACE

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