SCHEMBL1709220

SCHEMBL1709220

COc1ccc(N2CCC3(CC2)CC3NC(=O)c2cccc3ccccc23)cn1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 4/20 0.55
▸ KMT2A Q03164 1/20 0.41
▸ DRD4 P21917 5/20 0.41
▸ TTK P33981 1/20 0.40
▸ HCRTR1 O43613 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39
▸ MITF O75030 1/20 0.38
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37

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
SCHEMBL10072037 0.86 SCN9A (0.62) SCN9AKMT2ADRD4MITF
SCHEMBL10072167 0.83 SCN9A (0.61) SCN9AKMT2ADRD4MITF
SCHEMBL1709219 0.82 SCN9A (0.74) SCN9AKMT2ADRD4MITF
SCHEMBL1709222 0.82 SCN9A (0.60) SCN9AKMT2ADRD4
SCHEMBL1286845 0.81 SCN9A (0.66) SCN9AKMT2ADRD4MITF
SCHEMBL10072168 0.80 SCN9A (0.56) SCN9AKMT2ADRD4
SCHEMBL10072166 0.78 SCN9A (0.60) SCN9AKMT2ADRD4MITF
SCHEMBL10072036 0.76 SCN9A (0.55) SCN9AKMT2ADRD4
SCHEMBL1709255 0.74 SCN9A (0.57) SCN9AKMT2A
SCHEMBL1286816 0.73 DRD4 (0.62) SCN9ADRD4

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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