SCHEMBL1029774

SCHEMBL1029774

NC(=O)c1ccnc(-c2cc(OC(F)(F)F)ccc2C2CCN(Cc3ccc(-c4ncc(Cl)cn4)cc3)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 4/20 0.41
ACHE P22303 1/20 0.40
P2RY1 P47900 1/20 0.39
CCR2 P41597 1/20 0.39
STAT3 P40763 3/20 0.39
WNK1 Q9H4A3 1/20 0.39
OPRK1 P41145 1/20 0.39
SSTR5 P35346 1/20 0.38
PRCP P42785 2/20 0.38
GCGR P47871 1/20 0.38
GIPR P48546 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
MCHR1 Q99705 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
HTR2A P28223 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
SCHEMBL1035443 0.84 AKT1 (0.41) CHEK2OPRK1SSTR5
SCHEMBL1034167 0.84 STAT3 (0.41) CHEK2CCR2STAT3SSTR5
SCHEMBL2681643 0.80 ACHE (0.42) ACHEP2RY1CCR2STAT3SSTR5
SCHEMBL1029775 0.79 HIF1A (0.46) ACHEP2RY1CCR2STAT3SSTR5
SCHEMBL1031736 0.78 STAT3 (0.41) STAT3OPRK1SSTR5
SCHEMBL1847418 0.75 PRKAA2 (0.44) OPRK1SSTR5MCHR1
SCHEMBL1844021 0.74 WNK1 (0.43) CHEK2CCR2WNK1OPRK1DRD2
SCHEMBL1846809 0.72 PRKAA2 (0.42) ACHEOPRK1
SCHEMBL1034169 0.68 HIF1A (0.51) STAT3SSTR5
SCHEMBL2681756 0.68 F10 (0.44) ACHESSTR5MCHR1

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