SCHEMBL6155906

SCHEMBL6155906

[CH2]CNCc1ccnc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.55
HTR1A P08908 2/20 0.47
ADRA1D P25100 2/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1B P35368 2/20 0.47
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NCF1 P14598 1/20 0.44
FERMT2 Q96AC1 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
HIF1A Q16665 1/20 0.42
CYP1A2 P05177 1/20 0.42
ATG4B Q9Y4P1 1/20 0.41
NPY1R P25929 1/20 0.40
NPY5R Q15761 1/20 0.40
FAAH O00519 1/20 0.40

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
SCHEMBL1040581 0.82 LOXL2 (0.55) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL28252734 0.81 CYP1A2 (0.56) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL19563549 0.79 HTR1A (0.53) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL3817375 0.79 LOXL2 (0.64) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL24197399 0.78 LOXL2 (0.50) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL14650799 0.78 LOXL2 (0.58) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL28879838 0.78 LOXL2 (0.63) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL5550374 0.78 LOXL2 (0.58) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL1253989 0.78 LOXL2 (0.58) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL10133342 0.77 LOXL2 (0.53) LOXL2HTR1AADRA1DADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1499326-A1 OXOLIDE ANTIBACTERIALS Abbott Laboratories (US) 2005-01-26 EP claimed
WO-2003090760-A1 OXOLIDE ANTIBACTERIALS ABBOTT LABORATORIES (US) 2003-11-06 WO claimed
EP-1499326-A1 OXOLIDE ANTIBACTERIALS Abbott Laboratories (US) 2005-01-26 EP disclosed
WO-2003090760-A1 OXOLIDE ANTIBACTERIALS ABBOTT LABORATORIES (US) 2003-11-06 WO disclosed