SCHEMBL29754335

SCHEMBL29754335

CC(C)(C)Oc1ccc2c(c1)NC(=O)CC2

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOB P27338 16/20 0.55
MAOA P21397 14/20 0.55
CA9 Q16790 1/20 0.53
EIF2AK2 P19525 1/20 0.49
AOC3 Q16853 1/20 0.48

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
SCHEMBL28778453 1.00 MAOB (0.55) MAOBMAOACA9EIF2AK2AOC3
SCHEMBL17785603 0.84 KIF11 (0.57) MAOBMAOACA9EIF2AK2AOC3
SCHEMBL20715212 0.82 MAOB (0.50) MAOBMAOACA9AOC3
SCHEMBL29724095 0.82 MAOB (0.58) MAOBMAOACA9EIF2AK2AOC3
SCHEMBL703728 0.82 MAOB (0.58) MAOBMAOACA9EIF2AK2AOC3
SCHEMBL14764579 0.80 MAOB (0.51) MAOBMAOACA9EIF2AK2AOC3
SCHEMBL22052984 0.79 MAOB (0.49) MAOBMAOAAOC3
SCHEMBL20715626 0.79 MAOB (0.49) MAOBMAOA
SCHEMBL8109567 0.79 CA9 (0.62) MAOBMAOACA9EIF2AK2AOC3
SCHEMBL18850317 0.79 MAOB (0.58) MAOBMAOACA9EIF2AK2AOC3

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
CN-114436955-B Tetrahydroquinoline and benzomorpholine derivatives or salts thereof, and preparation method and application thereof 复旦大学 2024-08-09 CN disclosed
CN-114436955-A Tetrahydroquinoline and benzomorpholine derivatives or salts thereof, and preparation method and application thereof 复旦大学 2022-05-06 CN disclosed