SCHEMBL7893807

SCHEMBL7893807

CSc1ncccc1C(=O)NC(c1nccn1C)C12CCC(CC1)CN2C

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 17/20 0.76
RAB9A P51151 1/20 0.45
SLC6A5 Q9Y345 1/20 0.44

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
SCHEMBL3788018 0.86 SLC6A9 (1.00) SLC6A9SLC6A5
SCHEMBL3704810 0.86 SLC6A9 (1.00) SLC6A9SLC6A5
SCHEMBL7894785 0.86 SLC6A9 (1.00) SLC6A9SLC6A5
SCHEMBL7895036 0.83 SLC6A9 (0.75) SLC6A9SLC6A5
SCHEMBL7887956 0.83 SLC6A9 (0.70) SLC6A9
SCHEMBL7896586 0.81 SLC6A9 (0.71) SLC6A9SLC6A5
SCHEMBL7896247 0.80 SLC6A9 (0.74) SLC6A9
Citric Acid SCHEMBL3785545 0.79 SLC6A9 (0.83) SLC6A9SLC6A5
SCHEMBL7897071 0.74 SLC6A9 (0.78) SLC6A9SLC6A5
SCHEMBL2605316 0.73 SLC6A9 (0.76) SLC6A9RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010087761-A1 2-AZA-BICYCLO[2.2.2]OCTANE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2010-08-05 WO disclosed