SCHEMBL4759813

SCHEMBL4759813

O=C(O)CC(OCCCCl)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 17/20 0.44
GABBR2 O75899 1/20 0.41
GABBR1 Q9UBS5 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL27663465 0.84 FFAR1 (0.50) FFAR1SMN1; SMN2
SCHEMBL1165785 0.83 NPC1 (0.48) FFAR1SMN1; SMN2
SCHEMBL27907309 0.81 GABBR2 (0.44) FFAR1GABBR2GABBR1
SCHEMBL4041861 0.81 NPC1 (0.49) FFAR1SMN1; SMN2
SCHEMBL4298983 0.80 FFAR1 (0.49) FFAR1GABBR2GABBR1SMN1; SMN2
SCHEMBL7507485 0.79 HPGD (0.49) FFAR1GABBR2GABBR1
SCHEMBL3702042 0.78 GABBR2 (0.47) FFAR1GABBR2GABBR1SMN1; SMN2
SCHEMBL27142032 0.76 SCN1A (0.58) FFAR1GABBR2GABBR1
SCHEMBL9554333 0.76 RIPK1 (0.44) FFAR1GABBR2GABBR1
SCHEMBL27785716 0.76 FFAR1 (0.43) FFAR1GABBR2GABBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1945613-A1 NOVEL 1 -BENZYL-4-PIPERIDINAMINES THAT ARE USEFUL IN THE TREATMENT OF COPD AND ASTHMA AstraZeneca AB (SE) 2008-07-23 EP disclosed
WO-2007053082-A1 NOVEL 1 -BENZYL-4-PIPERIDINAMINES THAT ARE USEFUL IN THE TREATMENT OF COPD AND ASTHMA ASTRAZENECA AB (SE) 2007-05-10 WO disclosed