SCHEMBL2635293

SCHEMBL2635293

C[C@H]1CCC[N+]1(c1ccc([N+](=O)[O-])cc1)[C@H]1CCNC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.35
SLC6A3 Q01959 3/20 0.35
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ADRB1 P08588 1/20 0.33
SIRT6 Q8N6T7 1/20 0.33
HRH3 Q9Y5N1 3/20 0.33
RECQL P46063 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HRH2 P25021 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL2476694 0.83 MEN1 (0.36) SLC6A2SLC6A4LMNAMAPTPOLB
SCHEMBL2474736 0.83 MEN1 (0.36) SLC6A2SLC6A4LMNAMAPTPOLB
SCHEMBL2477347 0.83 MEN1 (0.36) SLC6A2SLC6A4LMNAMAPTPOLB
SCHEMBL2633821 0.83 MAPT (0.36) MAPTPOLBCHRNB4CHRNA3
SCHEMBL2476024 0.83 MEN1 (0.36) SLC6A2SLC6A4LMNAMAPTPOLB
SCHEMBL2475397 0.83 MEN1 (0.36) SLC6A2SLC6A4LMNAMAPTPOLB
SCHEMBL3655184 0.81 PRKCZ (0.31)
SCHEMBL2635212 0.81 PRKCZ (0.31)
SCHEMBL2636793 0.79 BCL9 (0.33)
SCHEMBL3657524 0.78 PARP10 (0.39)

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
EP-2569296-A1 SUBSTITUTED N-PHENYL SPIROLACTAM BIPYRROLIDINES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-20 EP disclosed
WO-2011143163-A1 SUBSTITUTED N-PHENYL SPIROLACTAM BIPYRROLIDINES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-11-17 WO disclosed