SCHEMBL1083522

SCHEMBL1083522

O=C(Nc1cc(Cl)c(Cl)nc1C1CCN(Cc2ccc(-c3ncc(Cl)cn3)cc2)CC1)c1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.45
MCHR1 Q99705 3/20 0.43
HTR2C P28335 2/20 0.43
EGLN1 Q9GZT9 1/20 0.41
HDAC1 Q13547 2/20 0.40
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40
ACKR3 P25106 2/20 0.40
KCNH2 Q12809 1/20 0.40
LSS P48449 1/20 0.40

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
SCHEMBL2682590 0.92 F10 (0.42) F10MCHR1HTR2CEGLN1HDAC1
SCHEMBL4405599 0.85 MCHR1 (0.44) F10MCHR1HTR2CHDAC1
SCHEMBL1035444 0.83 F10 (0.47) F10MCHR1HTR2CHIF1AEPAS1
SCHEMBL1034169 0.82 HIF1A (0.51) F10HIF1AEPAS1
SCHEMBL1726317 0.81 MCHR1 (0.48) MCHR1HTR2CHDAC1KCNH2
SCHEMBL2680635 0.79 F10 (0.43) F10MCHR1HTR2CHDAC1ACKR3
SCHEMBL1029775 0.79 HIF1A (0.46) F10HIF1AEPAS1
SCHEMBL2680949 0.78 F10 (0.42) F10MCHR1HTR2CHDAC1HIF1A
SCHEMBL2681297 0.76 F10 (0.40) F10MCHR1HTR2CHDAC1
SCHEMBL4401608 0.75 F10 (0.44) F10MCHR1HTR2CHDAC1ACKR3

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