SCHEMBL3122015

SCHEMBL3122015

O=C1N(Cc2ccccc2)CCC12CC[N]CC2

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
HCRTR2 O43614 10/20 0.52
HCRTR1 O43613 7/20 0.52
RIPK1 Q13546 3/20 0.51
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
OPRM1 P35372 1/20 0.44
OPRL1 P41146 1/20 0.44
CCR3 P51677 1/20 0.43
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PRMT1 Q99873 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
SCHEMBL835093 0.86 KMT2A (0.64) MEN1KMT2AHCRTR2HCRTR1RIPK1
SCHEMBL12654456 0.84 KMT2A (0.62) MEN1KMT2AHCRTR2HCRTR1RIPK1
SCHEMBL28978295 0.84 MEN1 (0.58) MEN1KMT2AHCRTR2HCRTR1RIPK1
SCHEMBL16488087 0.83 MEN1 (0.56) MEN1KMT2AHCRTR2HCRTR1RIPK1
SCHEMBL21315254 0.83 KMT2A (0.56) MEN1KMT2AHCRTR2HCRTR1RIPK1
SCHEMBL2629508 0.82 MEN1 (0.52) MEN1KMT2AHCRTR2HCRTR1RIPK1
SCHEMBL3723506 0.82 KMT2A (0.55) MEN1KMT2AHCRTR2HCRTR1RIPK1
SCHEMBL22447793 0.81 MEN1 (0.54) MEN1KMT2AHCRTR2HCRTR1RIPK1
SCHEMBL4068492 0.81 RIPK1 (0.64) MEN1KMT2AHCRTR2HCRTR1RIPK1
SCHEMBL20390892 0.81 MEN1 (0.54) MEN1KMT2AHCRTR2HCRTR1RIPK1

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-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO claimed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed