SCHEMBL8028655

SCHEMBL8028655

CO[C@@H]1CCC2(c3cc([N+](=O)[O-])ccc3F)N=C(NC(=O)OC(C)(C)C)SCC2C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.34
DRD2 P14416 1/20 0.34
GNRHR P30968 1/20 0.34
BACE2 Q9Y5Z0 4/20 0.33
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
KCNH2 Q12809 1/20 0.31
MAPT P10636 4/20 0.31
MEN1 O00255 1/20 0.31
CRHBP P24387 1/20 0.31
KMT2A Q03164 1/20 0.31
CRHR2 Q13324 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
ALOX5 P09917 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2620050 1.00 BACE1 (0.34) BACE1DRD2GNRHRBACE2ALDH1A1
SCHEMBL8039168 1.00 BACE1 (0.34) BACE1DRD2GNRHRBACE2ALDH1A1
SCHEMBL13009632 1.00 BACE1 (0.34) BACE1DRD2GNRHRBACE2ALDH1A1
SCHEMBL2620055 1.00 BACE1 (0.34) BACE1DRD2GNRHRBACE2ALDH1A1
SCHEMBL8031672 0.93 GNRHR (0.35) BACE1DRD2GNRHRBACE2ALDH1A1
SCHEMBL2619849 0.93 GNRHR (0.35) BACE1DRD2GNRHRBACE2ALDH1A1
SCHEMBL2619845 0.93 GNRHR (0.35) BACE1DRD2GNRHRBACE2ALDH1A1
SCHEMBL13177589 0.92 BACE1 (0.34) BACE1BACE2KCNH2
SCHEMBL2620042 0.92 DRD2 (0.36) BACE1DRD2GNRHRBACE2ALDH1A1
SCHEMBL2620033 0.92 DRD2 (0.36) BACE1DRD2GNRHRBACE2ALDH1A1

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
WO-2009091016-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-07-23 WO disclosed