SCHEMBL2596544

SCHEMBL2596544

O=C(O)CCc1ccc(NCc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 20/20 1.00
FFAR4 Q5NUL3 8/20 1.00
GNA15 P30679 1/20 0.70
PTGER3 P43115 1/20 0.70
TDP1 Q9NUW8 1/20 0.70

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
SCHEMBL11248573 0.90 FFAR1 (0.86) FFAR1FFAR4GNA15PTGER3TDP1
SCHEMBL13535449 0.87 FFAR1 (0.77) FFAR1FFAR4
SCHEMBL11239667 0.87 FFAR1 (1.00) FFAR1FFAR4GNA15PTGER3TDP1
SCHEMBL11461945 0.87 FFAR1 (0.77) FFAR1FFAR4
SCHEMBL9424921 0.86 FFAR1 (0.76) FFAR1FFAR4GNA15PTGER3TDP1
SCHEMBL22668424 0.84 FFAR1 (0.72) FFAR1FFAR4GNA15PTGER3TDP1
SCHEMBL433145 0.84 FFAR1 (0.72) FFAR1FFAR4GNA15PTGER3TDP1
Gw9508 SCHEMBL29766936 0.83 FFAR1 (1.00) FFAR1FFAR4GNA15PTGER3TDP1
Gw9508 SCHEMBL364468 0.83 FFAR1 (1.00) FFAR1FFAR4GNA15PTGER3TDP1
SCHEMBL22668004 0.82 FFAR1 (0.69) FFAR1FFAR4GNA15PTGER3TDP1

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-2568993-A1 GLUCAGON SUPERFAMILY PEPTIDES EXHIBITING G PROTEIN-COUPLED RECEPTOR ACTIVITY Indiana University Research and Technology Corporation (US) 2013-03-20 EP disclosed
WO-2011143208-A1 GLUCAGON SUPERFAMILY PEPTIDES EXHIBITING G PROTEIN-COUPLED RECEPTOR ACTIVITY INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2011-11-17 WO disclosed
US-4218475-A ANTICHOLESTEROL AGENTS THE DOW CHEMICAL COMPANY (US) 1980-08-19 US disclosed