SCHEMBL6998514

SCHEMBL6998514

O=C(O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.54
FFAR1 O14842 4/20 0.52
IDO1 P14902 1/20 0.49
SLC6A3 Q01959 7/20 0.46
SLC6A4 P31645 5/20 0.46
SLC6A2 P23975 3/20 0.45

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
SCHEMBL8149379 0.85 FFAR1 (0.51) KMOFFAR1IDO1SLC6A3SLC6A4
SCHEMBL8152908 0.85 FFAR1 (0.51) KMOFFAR1IDO1SLC6A3SLC6A4
SCHEMBL7003669 0.85 FFAR1 (0.51) KMOFFAR1IDO1SLC6A3SLC6A4
SCHEMBL7002253 0.85 FFAR1 (0.51) KMOFFAR1IDO1SLC6A3SLC6A4
SCHEMBL29879365 0.85 FFAR1 (0.49) KMOFFAR1IDO1
SCHEMBL24737999 0.85 FFAR1 (0.49) KMOFFAR1IDO1
SCHEMBL8149382 0.85 FFAR1 (0.51) KMOFFAR1IDO1SLC6A3SLC6A4
SCHEMBL8152906 0.85 FFAR1 (0.51) KMOFFAR1IDO1SLC6A3SLC6A4
SCHEMBL7002249 0.85 FFAR1 (0.51) KMOFFAR1IDO1SLC6A3SLC6A4
SCHEMBL7003675 0.85 FFAR1 (0.51) KMOFFAR1IDO1SLC6A3SLC6A4

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-0996621-B1 TRIAZOLO[4,5-d]PYRIMIDINE DERIVATIVES AS ANTI-THROMBOTIC AGENTS ASTRAZENECA AB (SE) 2003-10-01 EP disclosed
US-6251910-B1 1,2,3-triazolo[4,5-d]pyrimidines as P2T receptor antagonists ASTRAZENECA UK LIMITED (GB) 2001-06-26 US disclosed