SCHEMBL5227823

SCHEMBL5227823

C[C@H](Nc1c(C2CCCC2)c(Cl)nc2ncnn12)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 16/20 0.35
PDE3A Q14432 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.33
MBOAT4 Q96T53 1/20 0.32

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
SCHEMBL5227104 1.00 PDE2A (0.35) PDE2APDE3AGAAHTTSMN1; SMN2
SCHEMBL5225793 1.00 PDE2A (0.35) PDE2APDE3AGAAHTTSMN1; SMN2
SCHEMBL5232313 0.99 PDE2A (0.35) PDE2APDE3AGAAHTTSMN1; SMN2
SCHEMBL5232222 0.99 PDE2A (0.35) PDE2APDE3AGAAHTTSMN1; SMN2
SCHEMBL5228395 0.90 PDE2A (0.36) PDE2AMAPK1
SCHEMBL5227148 0.90 PDE2A (0.36) PDE2AMAPK1
SCHEMBL5325968 0.88 MEN1 (0.40) PDE2AGAAHTTSMN1; SMN2MBOAT4
SCHEMBL5225477 0.83 PDE2A (0.38) PDE2A
SCHEMBL5327518 0.80 PDE2A (0.34) PDE2APDE3A
SCHEMBL5327521 0.80 PDE2A (0.34) PDE2APDE3A

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
US-7307172-B2 7-amino triazolopyrimidines for controlling harmful fungi BASF AKTIENGESELLSCHAFT (DE) 2007-12-11 US claimed
EP-1414302-B1 7-AMINO TRIAZOLOPYRIMIDINES FOR CONTROLLING HARMFUL FUNGI BASF AG (DE) 2007-03-21 EP claimed