SCHEMBL8917800

SCHEMBL8917800

N=C1NC2(OCCO2)c2c(Oc3ccccc3)cccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.35
SLC6A4 P31645 6/20 0.35
SLC6A3 Q01959 6/20 0.35
HTR1A P08908 4/20 0.34
XDH P47989 1/20 0.34
STK10 O94804 1/20 0.32
SLK Q9H2G2 1/20 0.32
BRD4 O60885 3/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
XBP1 P17861 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NCOA1 Q15788 1/20 0.32

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
SCHEMBL8917808 0.81 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3HTR1ABRD4
SCHEMBL8917731 0.80 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3HTR1AXDH
SCHEMBL8919955 0.78 ALDH1A1 (0.36) SLC6A2SLC6A4SLC6A3HTR1APOLB
SCHEMBL8919068 0.75 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL7828729 0.74 ALDH1A1 (0.36) SLC6A2SLC6A4SLC6A3HTR1ABRD4
SCHEMBL8921046 0.74 MAOA (0.46) SLC6A2SLC6A4SLC6A3XDHMAPT
SCHEMBL8919799 0.73 NSD2 (0.35)
SCHEMBL7826158 0.71 LTA4H (0.35) SLC6A2SLC6A4BRD4LMNAMAPT
SCHEMBL7817075 0.68 LMNA (0.40) SLC6A2SLC6A4SLC6A3HTR1ASTK10
SCHEMBL8917739 0.64 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3HTR1ABRD4

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
US-5691272-A Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, INC. (JP) 1997-11-25 US disclosed
US-5559247-A Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, INC. (JP) 1996-09-24 US disclosed
EP-0679640-A1 Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-11-02 EP disclosed