SCHEMBL5229431

SCHEMBL5229431

NC1(c2c(C3CCCC3)c(Cl)nc3ncnn23)CCCC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 18/20 0.33
MBOAT4 Q96T53 1/20 0.33
MAPK1 P28482 1/20 0.31

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
SCHEMBL5227316 0.79 MBOAT4 (0.41) PDE2AMBOAT4
SCHEMBL5229520 0.78 MBOAT4 (0.41) PDE2AMBOAT4
SCHEMBL5227392 0.76 MBOAT4 (0.40) MBOAT4MAPK1
SCHEMBL5228606 0.74 LMNA (0.41) PDE2A
SCHEMBL5263900 0.73 PDE2A (0.39) PDE2A
SCHEMBL5231936 0.72 PDE2A (0.35) PDE2A
SCHEMBL14398200 0.72 PDE2A (0.38) PDE2A
SCHEMBL5229425 0.72 CDK2 (0.38) PDE2AMAPK1
SCHEMBL5231931 0.69 ENPP1 (0.42) PDE2AMAPK1
SCHEMBL5225793 0.68 PDE2A (0.35) PDE2AMBOAT4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414302-B1 7-AMINO TRIAZOLOPYRIMIDINES FOR CONTROLLING HARMFUL FUNGI BASF AG (DE) 2007-03-21 EP claimed