SCHEMBL29620709

SCHEMBL29620709

CC(C)(C)[S@@+]([O-])N[C@@]1(C(F)(F)F)COc2c1cc(Cl)nc2-c1ccc(F)cc1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.31
ADORA1 P30542 2/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2B P29275 1/20 0.31

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
SCHEMBL23700513 1.00 ADORA2A (0.31) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL23700511 1.00 ADORA2A (0.31) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL23700509 1.00 ADORA2A (0.31) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL23717279 0.92
SCHEMBL29620708 0.86 ADORA3 (0.32) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL24345456 0.86 ADORA3 (0.32) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL23700569 0.86
SCHEMBL23700567 0.86
SCHEMBL23700572 0.86
SCHEMBL29620697 0.86

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-2022086840-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2022-04-28 WO disclosed