SCHEMBL29488706

SCHEMBL29488706

CCSc1ccc([C@H](CO)N[S@+]([O-])C(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.36
RIPK1 Q13546 1/20 0.33
MAOA P21397 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL17710287 1.00 SLC6A4 (0.36) SLC6A4RIPK1MAOANPC1RAB9A
SCHEMBL28725351 1.00 SLC6A4 (0.36) SLC6A4RIPK1MAOANPC1RAB9A
SCHEMBL17710286 1.00 SLC6A4 (0.36) SLC6A4RIPK1MAOANPC1RAB9A
SCHEMBL21570469 0.84 SLC6A4 (0.34) SLC6A4MAOANPC1RAB9A
SCHEMBL21570471 0.84 SLC6A4 (0.34) SLC6A4MAOANPC1RAB9A
SCHEMBL17710306 0.84 SLC6A4 (0.34) SLC6A4MAOANPC1RAB9A
SCHEMBL21570467 0.84 SLC6A4 (0.34) SLC6A4MAOANPC1RAB9A
SCHEMBL17710305 0.84 SLC6A4 (0.34) SLC6A4MAOANPC1RAB9A
SCHEMBL29488715 0.84 SLC6A4 (0.34) SLC6A4MAOANPC1RAB9A
SCHEMBL29488689 0.84 SLC6A4 (0.34) SLC6A4MAOANPC1RAB9A

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
CN-114230523-A Benzimidazole derivatives as modulators of ROR-gamma 生命医药有限责任公司 2022-03-25 CN disclosed