SCHEMBL9922124

SCHEMBL9922124

N[C@H](CNCc1ccccc1)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.51
OPRD1 P41143 1/20 0.50
OPRK1 P41145 1/20 0.50
EPHX1 P07099 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
APP P05067 2/20 0.45
ANPEP P15144 1/20 0.43
EPHX2 P34913 2/20 0.42
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
MMP2 P08253 2/20 0.42
MAPK14 Q16539 1/20 0.42
BCHE P06276 2/20 0.42
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42

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
SCHEMBL3353556 0.86 BCHE (0.50) DNM1OPRD1OPRK1MEN1ALDH1A1
SCHEMBL421960 0.86 EPHX1 (0.61) OPRD1OPRK1EPHX1MEN1KMT2A
SCHEMBL421959 0.86 EPHX1 (0.61) OPRD1OPRK1EPHX1MEN1KMT2A
SCHEMBL11121889 0.84 EPHX1 (0.59) OPRD1OPRK1EPHX1MEN1KMT2A
SCHEMBL28387015 0.81 MEN1 (0.54) DNM1MEN1ALDH1A1GAAMAPT
SCHEMBL23529711 0.78 MMP2 (0.57) OPRD1OPRK1EPHX1SMN1; SMN2ANPEP
SCHEMBL23529709 0.78 MMP2 (0.57) OPRD1OPRK1EPHX1SMN1; SMN2ANPEP
SCHEMBL4614132 0.77 EPHX1 (0.50) EPHX1ANPEPPPARGPPARAMAOB
SCHEMBL13405115 0.76 EPHX1 (0.53) EPHX1ANPEPMMP2MAOABACE1
SCHEMBL17710346 0.76 MEN1 (0.59) OPRD1OPRK1EPHX1MEN1GAA

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