SCHEMBL4713876

SCHEMBL4713876

O=C(O)N1CC(NCCc2ccc(F)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 1/20 0.50
TLR1 Q15399 1/20 0.50
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TAAR1 Q96RJ0 3/20 0.46
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 1/20 0.43
PLAAT4 Q9UL19 1/20 0.43

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
SCHEMBL29101911 0.85 TAAR1 (0.44) SMN1; SMN2TAAR1SIGMAR1PLAAT3PLAAT5
SCHEMBL4713692 0.85 TAAR1 (0.44) KMT2ASMN1; SMN2TAAR1ALDH1A1TSHR
SCHEMBL22160576 0.80 TLR2 (0.76) TLR2TLR1KMT2AMEN1SMN1; SMN2
SCHEMBL22160628 0.80 TLR2 (0.76) TLR2TLR1KMT2AMEN1SMN1; SMN2
SCHEMBL22160600 0.80 TLR2 (0.76) TLR2TLR1KMT2AMEN1SMN1; SMN2
SCHEMBL22160492 0.77 TLR2 (0.71) TLR2TLR1KMT2AMEN1TAAR1
SCHEMBL22160493 0.77 TLR2 (0.71) TLR2TLR1KMT2AMEN1TAAR1
SCHEMBL22160494 0.77 TLR2 (0.71) TLR2TLR1KMT2AMEN1TAAR1
SCHEMBL2466298 0.76 TAAR1 (0.53) TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL4715540 0.75 NPC1 (0.45) KMT2AMEN1TAAR1ALDH1A1TDP1

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
EP-1933830-A1 ANTAGONISTS OF SNS SODIUM CHANNELS Vernalis (R&D) Limited (GB) 2008-06-25 EP disclosed
WO-2007007057-A1 ANTAGONISTS OF SNS SODIUM CHANNELS VERNALIS (R & D) LIMITED (GB) 2007-01-18 WO disclosed