SCHEMBL6993499

SCHEMBL6993499

COc1nc2ncnn2c(C2CCCCC2)c1-c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 17/20 0.41
PDE10A Q9Y233 1/20 0.39
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA3 P34903 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
SCHEMBL6991184 0.89 PDE2A (0.42) PDE2AGABRG2GABRB3GABRA3
SCHEMBL6999001 0.85 PDE2A (0.43) PDE2A
SCHEMBL6994533 0.83 PDE2A (0.40) PDE2A
SCHEMBL4813005 0.82 PDE2A (0.44) PDE2A
SCHEMBL4811279 0.81 PDE2A (0.44) PDE2A
SCHEMBL7000362 0.78 PDE2A (0.42) PDE2A
SCHEMBL4820826 0.77 PDE2A (0.40) PDE2A
SCHEMBL6993502 0.77 ALDH1A1 (0.42) GABRG2GABRB3GABRA3
SCHEMBL6992630 0.76 PDE2A (0.42) PDE2AGABRG2GABRB3GABRA3
SCHEMBL7165648 0.74 PDE2A (0.41) PDE2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054888-B1 FUNGICIDAL 7-ALKYL-TRIAZOLOPYRIMIDINES BASF AG (DE) 2003-11-26 EP claimed
EP-1054888-A1 FUNGICIDAL 7-ALKYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 2000-11-29 EP claimed
US-6020338-A Fungicidal 7-alkyl-triazolopyrimidines AMERICAN CYANAMID COMPANY (US) 2000-02-01 US claimed
WO-1999041255-A1 FUNGICIDAL 7-ALKYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 1999-08-19 WO claimed
EP-1054888-B1 FUNGICIDAL 7-ALKYL-TRIAZOLOPYRIMIDINES BASF AG (DE) 2003-11-26 EP disclosed
EP-1359150-A2 A process and intermediates for the preparation of fungicidal 7-alkyl-triazolopyrimidines BASF AKTIENGESELLSCHAFT (DE) 2003-11-05 EP disclosed
US-6020338-A Fungicidal 7-alkyl-triazolopyrimidines AMERICAN CYANAMID COMPANY (US) 2000-02-01 US disclosed