SCHEMBL6990103

SCHEMBL6990103

COc1cc(F)cc(F)c1-c1c(Cl)nc2ncnn2c1C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 18/20 0.40
PDE3A Q14432 1/20 0.35
MBOAT4 Q96T53 2/20 0.35

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
SCHEMBL973762 0.90 PDE2A (0.41) PDE2A
SCHEMBL13920303 0.87 PDE2A (0.43) PDE2A
SCHEMBL13920314 0.87 PDE2A (0.43) PDE2A
SCHEMBL4811909 0.87 PDE2A (0.43) PDE2A
SCHEMBL6994533 0.82 PDE2A (0.40) PDE2A
SCHEMBL974313 0.81 PDE2A (0.38) PDE2A
SCHEMBL4820670 0.80 PDE2A (0.36) PDE2A
SCHEMBL4820804 0.79 PDE2A (0.36) PDE2A
SCHEMBL7165648 0.79 PDE2A (0.41) PDE2A
SCHEMBL976565 0.79 PDE2A (0.43) 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 9 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
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