SCHEMBL434940

SCHEMBL434940

CC(C)(C)OC(=O)N1CC(Oc2ncc(Cl)cc2[N+](=O)[O-])C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNB4 O00305 1/20 0.41
CACNA1A O00555 1/20 0.41
CACNA1G O43497 1/20 0.41
CACNG3 O60359 1/20 0.41
CACNA1F O60840 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNB3 P54284 1/20 0.41
CACNA2D1 P54289 1/20 0.41
CACNG7 P62955 1/20 0.41
CACNA1B Q00975 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNB1 Q02641 1/20 0.41
CACNG1 Q06432 1/20 0.41
CACNB2 Q08289 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
CACNA1E Q15878 1/20 0.41
CACNA2D4 Q7Z3S7 1/20 0.41
CACNA2D3 Q8IZS8 1/20 0.41
CACNG8 Q8WXS5 1/20 0.41

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
SCHEMBL30045189 0.82 CACNB4 (0.41) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL30044261 0.82 GPR119 (0.39) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL23580556 0.82 CACNB4 (0.41) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL462924 0.82 GPR119 (0.39) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL433155 0.82 CACNB4 (0.43) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL6113229 0.81 ALDH1A1 (0.44) PIK3CDGPR119LMNAMAPK1ALDH1A1
SCHEMBL24792687 0.81 PIK3CD (0.44) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL432797 0.80 POLB (0.43) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL14941983 0.78 PIK3CA (0.43) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL13734986 0.77 ALDH1A1 (0.41) CACNB4CACNA1ACACNA1GCACNG3CACNA1F

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
WO-2012012366-A1 PESTICIDAL 3-(ARYLOXY)AZACYCLOALKANES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-01-26 WO disclosed