SCHEMBL14919044

SCHEMBL14919044

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.42
TAAR1 Q96RJ0 2/20 0.39
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
RIPK1 Q13546 1/20 0.38
RORC P51449 1/20 0.37
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
MAOB P27338 3/20 0.37
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
MCHR1 Q99705 1/20 0.36
CXCR3 P49682 1/20 0.36
PGR P06401 2/20 0.36
SLC6A7 Q99884 2/20 0.36
EPHX1 P07099 1/20 0.35
EPHX2 P34913 1/20 0.35
SCN5A Q14524 1/20 0.35

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
SCHEMBL14890375 1.00 GRM2 (0.42) GRM2TAAR1MMP2MMP9MMP8
SCHEMBL18691797 1.00 GRM2 (0.42) GRM2TAAR1MMP2MMP9MMP8
SCHEMBL18175828 0.88 CYP3A4 (0.36) RIPK1
SCHEMBL9974772 0.88 CYP3A4 (0.36) RIPK1
SCHEMBL9929765 0.88 CYP3A4 (0.36) RIPK1
SCHEMBL14900588 0.85 RORC (0.39) RORCLTB4RLTB4R2MAOBCXCR3
SCHEMBL18724747 0.84 FFAR4 (0.39) LTB4RLTB4R2
SCHEMBL16939239 0.84 FFAR4 (0.39) LTB4RLTB4R2
SCHEMBL19190348 0.82 GRM2 (0.43) GRM2TAAR1MMP2MMP9MMP8
SCHEMBL14900527 0.82 GRM2 (0.43) GRM2TAAR1MMP2MMP9MMP8

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 6 patents. 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
EP-2964616-B1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2017-05-03 EP disclosed
EP-2864292-B1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2017-04-12 EP disclosed
EP-2773335-B1 OXALIC ACID AMIDES AS NEPRILYSIN INHIBITORS, PHARMACEUTICAL COMPOSITION THEREOF AND PREPARATION THEREOF THERAVANCE BIOPHARMA R&D IP LLC (US) 2017-03-08 EP disclosed
EP-2773335-A1 NEPRILYSIN INHIBITORS Theravance, Inc. (US) 2014-09-10 EP disclosed
WO-2013067163-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2013-05-10 WO disclosed