SCHEMBL6569279

SCHEMBL6569279

CSc1cccc([C@@H](N)[C@H](C)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
KCNH2 Q12809 1/20 0.41
ADRB1 P08588 1/20 0.40
MIF P14174 1/20 0.40
HTR2A P28223 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR2B P41595 1/20 0.40
MAOA P21397 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2C P18825 1/20 0.37
LMNA P02545 1/20 0.37
HIF1A Q16665 1/20 0.37
KDM4E B2RXH2 1/20 0.37
AKR1C3 P42330 4/20 0.37
AKR1C2 P52895 4/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL32683607 0.81 MEN1 (0.44) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL20718661 0.81 SLC6A4 (0.42) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL30402973 0.81 MEN1 (0.44) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL30400846 0.81 MEN1 (0.44) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL28762451 0.81 MEN1 (0.44) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL24010071 0.81 MEN1 (0.44) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL683932 0.77 CYP3A4 (0.44) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL6569348 0.76 ADRB1 (0.67) SLC6A3CYP3A4ADRB1MIFHTR2A
SCHEMBL18793669 0.76 ACP3 (0.43) ADRB1MIFHTR2AADRA1AHTR2B
SCHEMBL28258036 0.76 SLC6A4 (0.38) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6

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
EP-1156054-B1 DRUGS CONTAINING PHOSPHORIC ACID DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2004-04-14 EP disclosed
US-6495533-B1 TUMOR NECROSIS FACTOR INHIBITORS; RHEUMATOID ARTHRITIS, ULCERATIVE COLITIS, CROHN'S DISEASE, HEPATITIS, SEPSIS, HEMORRHAGIC SHOCK, MULTIPLE SCLEROSIS, CEREBRAL INFARCTION, DIABETES, INTERSTITIAL PNEUMONIA, PAIN, HIV ONO PHARMACEUTICAL CO., LTD. (JP) 2002-12-17 US disclosed
EP-1156054-A1 DRUGS CONTAINING PHOSPHORIC ACID DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-11-21 EP disclosed