SCHEMBL17243792

SCHEMBL17243792

COc1ccc(OCc2nc([C@@H]3CCCN3C(=O)OC(C)(C)C)nn2C)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HCRTR1 O43613 1/20 0.40
EPHA2 P29317 1/20 0.38
KDR P35968 1/20 0.38
EPHB4 P54760 1/20 0.38
SCD O00767 1/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
PDE4B Q07343 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
F2RL3 Q96RI0 2/20 0.38
CHEK2 O96017 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL17243782 0.83 FKBP1A (0.41) FKBP1AKDM4ENPC1RAB9AL3MBTL1
SCHEMBL17243791 0.82 MEN1 (0.42) FKBP1AKDM4ENPC1RAB9AL3MBTL1
SCHEMBL3180503 0.82 SCD (0.43) FKBP1ANPC1RAB9AHCRTR1EPHA2
SCHEMBL17103777 0.81 FKBP1A (0.35) FKBP1AHCRTR1SCDDRD3FKBP5
SCHEMBL17103778 0.81 FKBP1A (0.35) FKBP1AHCRTR1SCDDRD3FKBP5
SCHEMBL17243781 0.79 EPHA2 (0.58) L3MBTL1HCRTR1EPHA2KDREPHB4
SCHEMBL17243796 0.79 ALDH1A1 (0.46) FKBP1AL3MBTL1EPHA2KDREPHB4
SCHEMBL15417979 0.78 FKBP1A (0.41) FKBP1ANPC1RAB9AL3MBTL1HCRTR1
SCHEMBL17243774 0.78 ALDH1A1 (0.52) FKBP1AL3MBTL1EPHA2KDREPHB4
SCHEMBL15417963 0.78 SCD (0.42) FKBP1ANPC1RAB9AL3MBTL1HCRTR1

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
US-9181229-B2 Azole derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US disclosed
US-9181229-B2 Azole derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US disclosed