SCHEMBL1709255

SCHEMBL1709255

O=C(NC1CC12CCN(c1cccc([N+](=O)[O-])c1)CC2)c1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 4/20 0.57
▸ WDR5 P61964 1/20 0.47
▸ KMT2A Q03164 6/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.42
▸ MEN1 O00255 5/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ SIRT6 Q8N6T7 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ TNF P01375 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NOD1 Q9Y239 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ DUSP3 P51452 1/20 0.39
▸ PTPN5 P54829 1/20 0.39

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
SCHEMBL1709219 0.86 SCN9A (0.74) SCN9AKMT2AMEN1KDM4EPOLB
SCHEMBL1286845 0.80 SCN9A (0.66) SCN9AKMT2APOLBLMNAALDH1A1
SCHEMBL1709222 0.80 SCN9A (0.60) SCN9AKMT2APOLBLMNAALDH1A1
SCHEMBL10072036 0.79 SCN9A (0.55) SCN9AKMT2AMEN1MAPTKDM4E
SCHEMBL10072166 0.78 SCN9A (0.60) SCN9AKMT2ADRD2DRD3ALDH1A1
SCHEMBL10072037 0.78 SCN9A (0.62) SCN9AKMT2AABCG2MAPTPOLB
SCHEMBL10072168 0.77 SCN9A (0.56) SCN9AKMT2AMEN1MAPTKDM4E
SCHEMBL10072167 0.77 SCN9A (0.61) SCN9AKMT2APOLBALDH1A1
SCHEMBL1709220 0.74 SCN9A (0.55) SCN9AKMT2A
SCHEMBL1709207 0.74 SCN9A (0.54) SCN9AKMT2APOLBLMNAALDH1A1

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-2012047703-A2 CYCLOPROPYL-SPIRO-PIPERIDINES USEFUL AS SODIUM CHANNEL BLOCKERS SCHERING CORPORATION (US) 2012-04-12 — — WO disclosed
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