SCHEMBL8322192

SCHEMBL8322192

O[C@@H]1CC[C@H](O)[C@H]1NCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.56
GRIN2B Q13224 3/20 0.50
HRH2 P25021 1/20 0.50
ADRA1B P35368 1/20 0.50
OPRK1 P41145 1/20 0.50
SLC6A3 Q01959 1/20 0.50
ALDH1A1 P00352 2/20 0.46
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
BACE1 P56817 2/20 0.46
FYN P06241 1/20 0.46
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM1A O60341 1/20 0.46
MAOA P21397 1/20 0.46
TACR1 P25103 2/20 0.45
THRB P10828 1/20 0.45
IDO1 P14902 1/20 0.45
USP2 O75604 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
SCHEMBL8322195 1.00 FUCA1 (0.56) FUCA1GRIN2BHRH2ADRA1BOPRK1
SCHEMBL28716809 0.76 GRIN2B (0.55) FUCA1GRIN2BBCHEACHEBACE1
SCHEMBL14001426 0.76 LTA4H (0.58) FUCA1GRIN2BKDM1AMAOAHPGD
SCHEMBL15818134 0.76 LTA4H (0.58) FUCA1GRIN2BALDH1A1BCHEACHE
SCHEMBL9791812 0.76 LTA4H (0.58) FUCA1GRIN2BALDH1A1BCHEACHE
SCHEMBL697761 0.76 LTA4H (0.58) FUCA1GRIN2BKDM1AMAOAHPGD
SCHEMBL15780394 0.76 LTA4H (0.58) FUCA1GRIN2BKDM1AMAOAHPGD
SCHEMBL13634413 0.76 LTA4H (0.58) FUCA1GRIN2BALDH1A1BCHEACHE
SCHEMBL1847853 0.76 LTA4H (0.58) FUCA1GRIN2BALDH1A1BCHEACHE
SCHEMBL15921601 0.76 LTA4H (0.58) FUCA1GRIN2BKDM1AMAOAHPGD

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-5925624-A ANTIINFLAMMATORY AGENTS TREATING PATIENTS WITH INFLAMMATORY CONDITIONS SUSCEPTIBLE TO LEUKOCYTE-INDUCED TISSUE DAMAGE GLAXO GROUP LIMITED (GB) 1999-07-20 US disclosed
US-5889178-A N-(2,2-DIPHENYLETHYL)-DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-03-30 US disclosed
EP-0680488-B1 2,6-DIAMINOPURINE DERIVATIVES GLAXO GROUP LTD (GB) 1998-04-08 EP disclosed