SCHEMBL175595

SCHEMBL175595

O=C(O)CCc1cncnn1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.41
KEAP1 Q14145 1/20 0.36
P4HTM Q9NXG6 1/20 0.36
TBXAS1 P24557 6/20 0.36
HCAR2 Q8TDS4 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL22313680 0.71
SCHEMBL7011872 0.71 KEAP1 (0.52) FFAR1KEAP1P4HTMTBXAS1HCAR2
SCHEMBL1648472 0.71 KDM4E (0.45) FFAR1P4HTMTBXAS1HCAR2
SCHEMBL2113281 0.70 FFAR1 (0.53) FFAR1KEAP1P4HTMTBXAS1NPSR1
SCHEMBL25660463 0.69 CYP1A2 (0.53) FFAR1KEAP1TBXAS1
SCHEMBL31080880 0.69 CYP1A2 (0.53) FFAR1KEAP1TBXAS1
SCHEMBL18534282 0.68 FFAR1 (0.37) FFAR1KEAP1P4HTMTBXAS1NPSR1
SCHEMBL29921453 0.65 KEAP1 (0.41) FFAR1KEAP1P4HTMTBXAS1NPSR1
SCHEMBL18906036 0.65 FFAR1 (0.49) FFAR1KEAP1P4HTMTBXAS1
SCHEMBL2884150 0.65 FFAR1 (0.68) FFAR1P4HTM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424368-A1 PYRROLOTRIAZINE COMPOUNDS Locus Pharmaceuticals, Inc. (US) 2012-03-07 EP claimed
CN-115605605-A Engineered macromolecules for nanoelectronic measurements 通用测序技术公司(US) 2023-01-13 CN disclosed
EP-4097242-A1 MACROMOLECULES ENGINEERED FORNANOELECTRONIC MEASUREMENT Universal Sequencing Technology Corporation (US) 2022-12-07 EP disclosed
EP-2424368-A1 PYRROLOTRIAZINE COMPOUNDS Locus Pharmaceuticals, Inc. (US) 2012-03-07 EP disclosed