SCHEMBL9921908

SCHEMBL9921908

CO[C@@H](C)[C@H](Cc1ccc(C(F)(F)F)cc1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.44
PPARA Q07869 3/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MTOR P42345 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
HTR2A P28223 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRK1 P41145 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL15070157 0.87 SIGMAR1 (0.47) MEN1KMT2ASIGMAR1SLC6A2SLC6A4
SCHEMBL1595230 0.84 MTOR (0.44) PPARGPPARANPC1RAB9AMTOR
SCHEMBL4300599 0.84 MTOR (0.44) PPARGPPARANPC1RAB9AMTOR
SCHEMBL15070151 0.75 SIGMAR1 (0.41) MEN1KMT2ASIGMAR1SLC6A2SLC6A4
SCHEMBL45416 0.75 SIGMAR1 (0.46) MEN1KMT2ASIGMAR1SLC6A2SLC6A4
SCHEMBL4297563 0.72 MTOR (0.49) PPARGPPARAMTORMEN1KMT2A
SCHEMBL4297567 0.72 MTOR (0.49) PPARGPPARAMTORMEN1KMT2A
SCHEMBL1594664 0.72 NOS3 (0.47) PPARGPPARAMTORMEN1KMT2A
SCHEMBL1594667 0.72 NOS3 (0.47) PPARGPPARAMTORMEN1KMT2A
SCHEMBL1594425 0.71 PPARG (0.44) PPARGPPARANPC1RAB9AMTOR

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-1981884-B1 THIAZOLE COMPOUNDS AS PROTEIN KINASE B (PKB) INHIBITORS AMGEN INC (US) 2012-06-13 EP disclosed