SCHEMBL30159302

SCHEMBL30159302

CCCCOC(=O)NCCN(C)CCCOCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ LMNA P02545 2/20 0.49
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ NAAA Q02083 1/20 0.45
▸ CHRNB2 P17787 1/20 0.45
▸ CHRNB4 P30926 1/20 0.45
▸ CHRNA3 P32297 1/20 0.45
▸ CHRNA4 P43681 1/20 0.45
▸ LTA4H P09960 3/20 0.45
▸ HTT P42858 2/20 0.44
▸ ACHE P22303 3/20 0.42

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
SCHEMBL30159491 0.91 SMN1; SMN2 (0.49) SMN1; SMN2LMNAL3MBTL1MAPTALDH1A1
SCHEMBL30159248 0.84 SMN1; SMN2 (0.66) SMN1; SMN2LMNAL3MBTL1MAPTALDH1A1
SCHEMBL23016769 0.83 HTT (0.54) SMN1; SMN2LMNAL3MBTL1MAPTALDH1A1
SCHEMBL30316826 0.83 L3MBTL1 (0.53) SMN1; SMN2LMNAL3MBTL1MAPTLTA4H
SCHEMBL12304971 0.80 LMNA (0.58) SMN1; SMN2LMNAL3MBTL1MAPTNPC1
SCHEMBL19763216 0.80 LMNA (0.65) SMN1; SMN2LMNAL3MBTL1MAPTALDH1A1
SCHEMBL24460520 0.80 SIGMAR1 (0.50) LMNAL3MBTL1TSHRTDP1LTA4H
SCHEMBL22033436 0.80 HTT (0.50) SMN1; SMN2LMNAL3MBTL1MAPTALDH1A1
SCHEMBL24991324 0.78 LMNA (0.81) SMN1; SMN2LMNAL3MBTL1MAPTALDH1A1
SCHEMBL12088080 0.78 HTT (0.67) SMN1; SMN2LMNAL3MBTL1MAPTCHRNB2

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
EP-4110776-A1 NEW MACROCYCLIC COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Les Laboratoires Servier (FR) 2023-01-04 — — EP disclosed
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