SCHEMBL6695096

SCHEMBL6695096

[CH2]CC(c1ccccc1)(c1ccccc1)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM3 P20309 1/20 0.40
BLM P54132 3/20 0.37
CYP2D6 P10635 1/20 0.37
SLC22A2 O15244 1/20 0.37
SLC22A1 O15245 1/20 0.37
PGR P06401 1/20 0.37
THRB P10828 1/20 0.37
ADRB3 P13945 1/20 0.37
OPRK1 P41145 1/20 0.37
PMP22 Q01453 1/20 0.37
KCNH2 Q12809 1/20 0.37
PDE3A Q14432 1/20 0.37
SLC47A1 Q96FL8 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 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
SCHEMBL8357937 0.90 KIF11 (0.44) SMN1; SMN2L3MBTL1KMT2AMEN1CHRM2
SCHEMBL439212 0.76 KIF11 (0.46) TSHRCYP11B1CYP11B2KIF11CYP1A2
SCHEMBL6351579 0.75 L3MBTL1 (0.41) SMN1; SMN2L3MBTL1KMT2AMEN1CHRM2
SCHEMBL31324682 0.73 L3MBTL1 (0.54) SMN1; SMN2L3MBTL1KMT2AMEN1CHRM2
SCHEMBL13053153 0.73 L3MBTL1 (0.54) SMN1; SMN2L3MBTL1KMT2AMEN1CHRM2
SCHEMBL4327683 0.73 L3MBTL1 (0.54) SMN1; SMN2L3MBTL1KMT2AMEN1CHRM2
SCHEMBL29410666 0.71 L3MBTL1 (0.78) SMN1; SMN2L3MBTL1KMT2AMEN1CHRM2
SCHEMBL8392798 0.71 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1KMT2AMEN1CHRM2
SCHEMBL912495 0.71 L3MBTL1 (0.78) SMN1; SMN2L3MBTL1KMT2AMEN1CHRM2
SCHEMBL11171434 0.71 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1KMT2AMEN1CHRM2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3553083-B2 2004-08-11 JP claimed
EP-0852494-A2 PERIPHERALLY ACTIVE ANTI-HYPERALGESIC OPIATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-07-15 EP claimed
WO-1997009973-A2 PERIPHERALLY ACTIVE ANTI-HYPERALGESIC OPIATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-03-20 WO claimed