SCHEMBL4968016

SCHEMBL4968016

C[C@H](NC(=O)O)[C@@H](c1ccc(C(F)(F)F)cc1)C(O)N(C(=O)OC(C)(C)C)c1ncc(Br)s1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.33
FFAR2 O15552 1/20 0.32
CPB2 Q96IY4 1/20 0.32
PTGER4 P35408 1/20 0.30
PTGER2 P43116 1/20 0.30
PDE2A O00408 1/20 0.30

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
SCHEMBL4969320 0.83 USP30 (0.38) USP30TRPM8FFAR2CPB2PDE2A
SCHEMBL4294361 0.81 TRPM8 (0.34) TRPM8CPB2PTGER4PTGER2PDE2A
SCHEMBL4294354 0.81 TRPM8 (0.34) TRPM8CPB2PTGER4PTGER2PDE2A
SCHEMBL4294345 0.75 RORC (0.33) TRPM8CPB2PTGER4PTGER2PDE2A
SCHEMBL4294350 0.75 RORC (0.33) TRPM8CPB2PTGER4PTGER2PDE2A
SCHEMBL4294129 0.74 TRPM8 (0.32) TRPM8CPB2
SCHEMBL4294135 0.74 TRPM8 (0.32) TRPM8CPB2
SCHEMBL4967775 0.73 USP30 (0.36) USP30FFAR2
SCHEMBL2544470 0.72 PPARG (0.35) TRPM8FFAR2CPB2
SCHEMBL123047 0.72 USP30 (0.60) USP30FFAR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981884-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B (PKB) INHIBITORS Amgen, Inc (US) 2008-10-22 EP disclosed
WO-2007084391-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B ( PKB) INHIBITORS AMGEN INC. (US) 2007-07-26 WO disclosed