SCHEMBL4667804

SCHEMBL4667804

CC1C2CC1N(c1c(-c3c(F)cccc3Cl)c(Cl)nc3ncnn13)C2

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 13/20 0.37
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 2/20 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
SCHEMBL4665974 0.87 PDE2A (0.39) PDE2AGLATSHRNPSR1ALDH1A1
SCHEMBL4665967 0.85 PDE2A (0.35) PDE2AGLATSHRNPSR1ALDH1A1
SCHEMBL4666576 0.83 PDE2A (0.40) PDE2AGLATSHRNPSR1ALDH1A1
SCHEMBL4666569 0.83 TSHR (0.41) PDE2AGLATSHRNPSR1ALDH1A1
SCHEMBL4668079 0.83 PDE2A (0.39) PDE2AGLATSHRNPSR1ALDH1A1
SCHEMBL8912954 0.81 PDE2A (0.43) PDE2AGLATSHRNPSR1
SCHEMBL4819706 0.80 PDE2A (0.40) PDE2AGLATSHRNPSR1
SCHEMBL4666636 0.80 PDE2A (0.38) PDE2AGLATSHRNPSR1ALDH1A1
SCHEMBL344327 0.80 TSHR (0.46) PDE2AGLATSHRNPSR1ALDH1A1
SCHEMBL4820822 0.79 TSHR (0.39) PDE2AGLATSHRNPSR1ALDH1A1

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
EP-1980150-A1 Fungicidal mixtures based on triazolopyrimidine compounds BASF SE (DE) 2008-10-15 EP claimed
EP-1980150-A1 Fungicidal mixtures based on triazolopyrimidine compounds BASF SE (DE) 2008-10-15 EP disclosed