SCHEMBL6995159

SCHEMBL6995159

COc1cc(F)c(-c2c(OCC(F)(F)F)nc3ncnn3c2C2CCCCC2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 18/20 0.42
GRM8 O00222 1/20 0.35
CYP1A2 P05177 1/20 0.35
GRM7 Q14831 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL6990130 0.89 PDE2A (0.43) PDE2AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4813005 0.89 PDE2A (0.44) PDE2AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4811279 0.88 PDE2A (0.44) PDE2AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6999255 0.85 PDE2A (0.41) PDE2AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6992630 0.84 PDE2A (0.42) PDE2AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7000362 0.83 PDE2A (0.42) PDE2AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4815253 0.83 PDE2A (0.39) PDE2A
SCHEMBL13920303 0.82 PDE2A (0.43) PDE2AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4811909 0.82 PDE2A (0.43) PDE2AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL13920314 0.82 PDE2A (0.43) PDE2AKDM4EALDH1A1HPGDSMN1; SMN2

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
US-6020338-A Fungicidal 7-alkyl-triazolopyrimidines AMERICAN CYANAMID COMPANY (US) 2000-02-01 US 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
EP-1054888-A1 FUNGICIDAL 7-ALKYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 2000-11-29 EP disclosed
US-6020338-A Fungicidal 7-alkyl-triazolopyrimidines AMERICAN CYANAMID COMPANY (US) 2000-02-01 US disclosed
WO-1999041255-A1 FUNGICIDAL 7-ALKYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 1999-08-19 WO disclosed