SCHEMBL8500830

SCHEMBL8500830

COCCCOc1ccnc(CCl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 5/20 0.47
NOS2 P35228 3/20 0.42
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
MAPK1 P28482 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GRM4 Q14833 1/20 0.36
MAOA P21397 1/20 0.36
DYRK1A Q13627 1/20 0.36
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL8500706 0.97 LNPEP (0.44) LNPEPNOS2NOS3NOS1MAPK1
SCHEMBL8500796 0.83 LNPEP (0.50) LNPEPNOS2NOS3NOS1MAPK1
SCHEMBL30164187 0.80 NOS2 (0.62) NOS2NOS3NOS1HTTCCR1
SCHEMBL3862419 0.80 NOS2 (0.62) NOS2NOS3NOS1HTTCCR1
SCHEMBL8502419 0.80 LNPEP (0.47) LNPEPNOS2NOS3NOS1MAPK1
SCHEMBL7980790 0.80 HTT (0.35) LNPEPNOS2NOS3NOS1HSD17B10
Hydrochloric Acid SCHEMBL30220698 0.79 NOS2 (0.61) NOS2NOS3NOS1HTTCCR1
SCHEMBL3641525 0.79 NOS3 (0.43) NOS2NOS3NOS1HSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL242520 0.79 NOS2 (0.61) NOS2NOS3NOS1HTTCCR1
SCHEMBL27582274 0.77 DYRK1A (0.43) LNPEPNOS2NOS3NOS1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5998445-A PEPTIC ULCERS EISAI CO., LTD. (JP) 1999-12-07 US disclosed
US-5840910-A Pyridine derivatives having anti-ulcerative activity ESAI CO., LTD. (JP) 1998-11-24 US disclosed
EP-0268956-B2 Pyridine derivatives, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments having therapeutic or preventative value, and a process for preparing the same EISAI CO LTD (JP) 1998-04-15 EP disclosed
EP-0786461-A1 Pyridine derivatives, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments having therapeutic or preventative value, and a process for preparing the same Eisai Co., Ltd. (JP) 1997-07-30 EP disclosed
EP-0654471-A1 Pyridine derivatives, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments having therapeutic or preventative value, and process for preparing the same Eisai Co., Ltd. (JP) 1995-05-24 EP disclosed
CN-1018923-B Process for preparing pyridine derivatives having antiulcer activity EISAI CO LTD (JP) 1992-11-04 CN disclosed
EP-0475456-A1 Pyridine derivatives, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments having therapeutic or preventative value, and a process for preparing the same Eisai Co., Ltd. (JP) 1992-03-18 EP disclosed
US-5045552-A Pyridine derivatives having anti-ulcerative activity EISAI CO., LTD. (JP) 1991-09-03 US disclosed
EP-0268956-A2 Pyridine derivatives, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments having therapeutic or preventative value, and a process for preparing the same Eisai Co., Ltd. (JP) 1988-06-01 EP disclosed
CN-87107777-A Pyridine derivate with antiulcer activity 1988-06-01 CN disclosed