SCHEMBL9569998

SCHEMBL9569998

CC(C)(C)OC(=O)c1ccccc1-c1ccc(C=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.47
SLC6A4 P31645 3/20 0.47
DRD1 P21728 3/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
DRD3 P35462 1/20 0.42
SLC6A2 P23975 1/20 0.41
ACHE P22303 1/20 0.41
SCN1A P35498 4/20 0.41
SCN2A Q99250 4/20 0.41
SCN3A Q9NY46 4/20 0.41
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB3 Q13509 2/20 0.40
TUBB2A Q13885 2/20 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
SCHEMBL9531321 0.84 BCAT2 (0.52) SLC6A3SLC6A4SLC6A2SCN1ASCN2A
SCHEMBL29389473 0.84 BCAT2 (0.52) SLC6A3SLC6A4SLC6A2SCN1ASCN2A
SCHEMBL707956 0.83 SLC6A3 (0.67) SLC6A3SLC6A4DRD1DRD2DRD4
SCHEMBL517 0.83 SLC6A3 (0.50) SLC6A3SLC6A4SLC6A2ACHESCN1A
SCHEMBL1665535 0.83 SLC6A3 (0.49) SLC6A3SLC6A4SLC6A2ACHESCN1A
SCHEMBL9373323 0.82 SLC6A3 (0.49) SLC6A3SLC6A4SLC6A2ACHESCN1A
SCHEMBL6900241 0.82 SLC6A3 (0.68) SLC6A3SLC6A4SLC6A2ACHESCN1A
Bromomethane SCHEMBL7011845 0.81 SLC6A3 (0.50) SLC6A3SLC6A4SLC6A2SCN1ASCN2A
Methylamine SCHEMBL28010440 0.81 BCAT2 (0.53) SLC6A3SLC6A4SLC6A2SCN1ASCN2A
SCHEMBL8875151 0.81 ACHE (0.48) SLC6A3SLC6A4SLC6A2ACHESCN1A

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
US-5270322-A Imidazo[1,2-a]pyridines, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1993-12-14 US disclosed
EP-0555825-A1 Imidazo(1,2-a)pyridines as angiotensin-II-antagonists Dr. Karl Thomae GmbH (DE) 1993-08-18 EP disclosed