SCHEMBL6206546

SCHEMBL6206546

O=C(Cl)C1CCc2ccccc2N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.56
MAPT P10636 2/20 0.53
GAA P10253 1/20 0.53
MTNR1A P48039 4/20 0.47
HTR1A P08908 4/20 0.44
HTR2A P28223 4/20 0.44
DRD3 P35462 4/20 0.44
F2 P00734 2/20 0.41
MASP2 O00187 1/20 0.41
HTR2C P28335 2/20 0.39
DRD2 P14416 1/20 0.39
NPC1 O15118 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
PYGL P06737 1/20 0.38
PYGM P11217 1/20 0.38
PTK2B Q14289 1/20 0.37
MTNR1B P49286 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
SCHEMBL30076005 0.98 SMYD3 (0.55) SMYD3MAPTGAAMTNR1AHTR1A
SCHEMBL4019694 0.86 SMYD3 (0.58) SMYD3MAPTGAAMTNR1AHTR1A
SCHEMBL1531662 0.84 GAA (0.69) SMYD3MAPTGAAMTNR1AHTR1A
SCHEMBL29831598 0.84 GAA (0.69) SMYD3MAPTGAAMTNR1AHTR1A
SCHEMBL444953 0.84 GAA (0.69) SMYD3MAPTGAAMTNR1AHTR1A
SCHEMBL1150614 0.84 GAA (0.69) SMYD3MAPTGAAMTNR1AHTR1A
SCHEMBL8823899 0.83 SMYD3 (0.46) SMYD3MAPTGAAMTNR1AHTR1A
Hydrochloric Acid SCHEMBL3157936 0.83 GAA (0.67) SMYD3MAPTGAAMTNR1AHTR1A
Hydrochloric Acid SCHEMBL11050093 0.83 GAA (0.67) SMYD3MAPTGAAMTNR1AHTR1A
Hydrochloric Acid SCHEMBL11047643 0.83 GAA (0.67) SMYD3MAPTGAAMTNR1AHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1504008-A1 7-AMINOIMIDAZOTRIAZONES Bayer HealthCare AG (DE) 2005-02-09 EP disclosed
WO-2003093268-A1 7-AMINOIMIDAZOTRIAZONES BAYER HEALTHCARE AG (DE) 2003-11-13 WO disclosed
US-4973588-A IMPROVED BRAIN FUNCTION AT REDUCED OXYGEN LEVELS MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1990-11-27 US disclosed
US-4136180-A HYPOLIPIDEMIC SUBSTITUTED STYRENESULFONYLUREAS PFIZER INC. (US) 1979-01-23 US disclosed
US-4062960-A Hypolipidemic alkenesulfonamides PFIZER INC. (US) 1977-12-13 US disclosed
US-3983107-A ARTERIOSCLEROSIS PFIZER INC. (US) 1976-09-28 US disclosed