SCHEMBL13626595

SCHEMBL13626595

Cc1ccc(/C=C/CN2CCC(c3nc(F)c(C(F)(F)F)cc3NC(=O)c3ccnc(Cl)c3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.36
CCR3 P51677 1/20 0.36
ANXA2 P07355 2/20 0.35
S100A10 P60903 2/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
GPR4 P46093 1/20 0.33
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33

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
SCHEMBL1462881 0.94 MCHR1 (0.39) MCHR1CCR3KMT2AMEN1MAPT
SCHEMBL1462879 0.94 MCHR1 (0.39) MCHR1CCR3KMT2AMEN1MAPT
SCHEMBL1420623 0.87 MCHR1 (0.40) MCHR1CCR3KMT2AMEN1MAPT
SCHEMBL1420624 0.87 MCHR1 (0.40) MCHR1CCR3KMT2AMEN1MAPT
SCHEMBL9884605 0.87 MCHR1 (0.40) MCHR1CCR3KMT2ALMNA
SCHEMBL1463145 0.86 MCHR1 (0.39) MCHR1CCR3KMT2AMEN1MAPT
SCHEMBL1463142 0.86 MCHR1 (0.39) MCHR1CCR3KMT2AMEN1MAPT
SCHEMBL1463314 0.85 MCHR1 (0.41) MCHR1CCR3KMT2AGSK3AGSK3B
SCHEMBL1463213 0.85 MCHR1 (0.41) MCHR1CCR3KMT2AGSK3AGSK3B
SCHEMBL1463147 0.83 MCHR1 (0.40) MCHR1CCR3KMT2AMEN1LMNA

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-2009138219-A2 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2009-11-19 WO disclosed