SCHEMBL1286815

SCHEMBL1286815

O=C(NC1CC12CCNCC2)c1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.55
▸ MMP3 P08254 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ SCN9A Q15858 4/20 0.49
▸ PLK1 P53350 1/20 0.46
▸ DRD4 P21917 2/20 0.43
▸ CXCR5 P32302 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ GBA1 P04062 1/20 0.42
▸ BACE1 P56817 2/20 0.42
▸ CCKAR P32238 1/20 0.41
▸ CCKBR P32239 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
SCHEMBL1709229 0.81 SCN9A (0.49) KMT2AMMP3HDAC8SCN9APLK1
SCHEMBL1709219 0.81 SCN9A (0.74) KMT2AMMP3HDAC8SCN9ADRD4
SCHEMBL1709207 0.79 SCN9A (0.54) KMT2AMMP3HDAC8SCN9ADRD4
SCHEMBL18838296 0.78 EZH2 (0.45) KMT2AHDAC8SCN9A
SCHEMBL10072168 0.78 SCN9A (0.56) KMT2AMMP3HDAC8SCN9ADRD4
SCHEMBL10071958 0.78 DRD4 (0.67) SCN9ADRD4
SCHEMBL1286845 0.77 SCN9A (0.66) KMT2AMMP3HDAC8SCN9ADRD4
SCHEMBL1709262 0.77 SCN9A (0.52) KMT2AMMP3HDAC8SCN9ADRD4
SCHEMBL10072166 0.77 SCN9A (0.60) KMT2AMMP3HDAC8SCN9ADRD4
SCHEMBL31074994 0.77 KMT2A (0.61) KMT2ADRD4

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