SCHEMBL1035444

SCHEMBL1035444

O=C(Nc1ccc(F)cc1C1CCN(Cc2ccc(-c3ncc(Cl)cn3)cc2)CC1)c1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.47
MCHR1 Q99705 6/20 0.47
HTR2C P28335 4/20 0.47
CSNK1D P48730 1/20 0.43
CSNK1E P49674 1/20 0.43
CLK2 P49760 1/20 0.42
CLK3 P49761 1/20 0.42
DYRK1A Q13627 1/20 0.42
HIF1A Q16665 1/20 0.42
EPAS1 Q99814 1/20 0.42
ACHE P22303 2/20 0.42
GSK3B P49841 2/20 0.42
BCHE P06276 1/20 0.42
ACKR3 P25106 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
SCHEMBL2681756 0.92 F10 (0.44) F10MCHR1HTR2CCSNK1DCSNK1E
SCHEMBL1034169 0.90 HIF1A (0.51) F10HIF1AEPAS1
SCHEMBL1031737 0.87 HIF1A (0.51) MCHR1HTR2CHIF1AEPAS1
SCHEMBL1083522 0.83 F10 (0.45) F10MCHR1HTR2CHIF1AEPAS1
SCHEMBL2681885 0.83 F10 (0.44) F10HIF1AEPAS1
SCHEMBL1029775 0.82 HIF1A (0.46) F10HIF1AEPAS1ACHEGSK3B
Hydrochloric Acid SCHEMBL2681741 0.82 F10 (0.43) F10HIF1AEPAS1
SCHEMBL1847421 0.82 ACKR3 (0.49) F10MCHR1HTR2CHIF1AEPAS1
SCHEMBL4401608 0.82 F10 (0.44) F10MCHR1HTR2CGSK3BACKR3
SCHEMBL2680721 0.81 HIF1A (0.42) F10MCHR1HTR2CHIF1AEPAS1

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-2011003684-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2011-01-13 WO disclosed