SCHEMBL3358236

SCHEMBL3358236

CN1CCC(n2cc(C(N)=O)c3ccc([N+](=O)[O-])cc32)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
OPRL1 P41146 1/20 0.45
ACHE P22303 1/20 0.43
PIK3CD O00329 1/20 0.41
PIK3R1 P27986 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CG P48736 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
AVPR1A P37288 1/20 0.41
KMT2A Q03164 3/20 0.40
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.38
AURKA O14965 1/20 0.38

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
SCHEMBL3354325 0.90 AVPR1A (0.43) ALDH1A1SMN1; SMN2ACHEPIK3CDPIK3R1
SCHEMBL3357600 0.87 ACHE (0.42) ALDH1A1SMN1; SMN2ACHEPIK3CDPIK3R1
SCHEMBL3357845 0.82 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1AVPR1A
SCHEMBL3357241 0.81 ACHE (0.41) ALDH1A1ACHEPIK3CDPIK3R1PIK3CA
SCHEMBL3354484 0.81 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2ACHEKMT2APOLB
SCHEMBL13537308 0.80 OPRM1 (0.47) OPRM1OPRD1OPRK1OPRL1AVPR1A
SCHEMBL3355435 0.80 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2ACHEKMT2AMEN1
SCHEMBL3355907 0.79 ACHE (0.39) ALDH1A1ACHEHIF1A
SCHEMBL3354823 0.79 LMNA (0.43) ALDH1A1SMN1; SMN2ACHEKMT2AMEN1
SCHEMBL3352685 0.76 MAPT (0.47) ALDH1A1ACHELMNAHIF1ATDP1

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-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed