SCHEMBL29027628

SCHEMBL29027628

CC(O)CCN(C)COc1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 10/20 0.46
▸ SLC6A4 P31645 2/20 0.43
▸ HRH3 Q9Y5N1 2/20 0.43
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNB4 P30926 1/20 0.40
▸ CHRNA3 P32297 1/20 0.40
▸ CHRNA7 P36544 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ MAOB P27338 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ AOC3 Q16853 1/20 0.38
▸ CACNA1B Q00975 1/20 0.38
▸ PSMB5 P28074 1/20 0.38

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
SCHEMBL2742739 0.80 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL29027684 0.80 LMNA (0.55) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL27710429 0.76 LMNA (0.58) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL27665176 0.76 LMNA (0.58) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL19273349 0.69 ALDH1A1 (0.49) MAOBALDH1A1AOC3
SCHEMBL2608846 0.69 ALDH1A1 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL13251241 0.68 TDP1 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL29028033 0.68 — —
SCHEMBL27830059 0.67 TMEM97 (0.53) MAOBALDH1A1
SCHEMBL7019849 0.67 PPARD (0.47) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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-116351103-A Chromatography medium and preparation method and application thereof 百林科(兰州)新材料有限公司 2023-06-30 — — CN claimed
CN-116351103-A Chromatography medium and preparation method and application thereof 百林科(兰州)新材料有限公司 2023-06-30 — — CN disclosed
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