SCHEMBL28901196

SCHEMBL28901196

NCC(=CF)COc1ccc2c(c1)CCNC2=O

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 16/20 0.62
MAOA P21397 4/20 0.59
MAOB P27338 1/20 0.59

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
SCHEMBL22713742 1.00 AOC3 (0.62) AOC3MAOAMAOB
SCHEMBL21780045 1.00 AOC3 (0.62) AOC3MAOAMAOB
Hydrochloric Acid SCHEMBL22713713 0.99 AOC3 (0.61) AOC3MAOAMAOB
Hydrochloric Acid SCHEMBL22713837 0.99 AOC3 (0.61) AOC3MAOAMAOB
SCHEMBL22713709 0.93 AOC3 (0.60) AOC3MAOAMAOB
SCHEMBL21780092 0.93 AOC3 (0.60) AOC3MAOAMAOB
Trifluoroacetic Acid SCHEMBL21768157 0.93 AOC3 (0.55) AOC3MAOAMAOB
Trifluoroacetic Acid SCHEMBL21768153 0.93 AOC3 (0.55) AOC3MAOAMAOB
Trifluoroacetic Acid SCHEMBL21768333 0.93 AOC3 (0.55) AOC3MAOAMAOB
SCHEMBL21780086 0.92 AOC3 (0.60) AOC3MAOAMAOB

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-110352188-B Fluoroallylamine derivatives and use thereof 四川科伦博泰生物医药股份有限公司 2022-11-29 CN disclosed