SCHEMBL30159491

SCHEMBL30159491

CCCCOC(=O)NCCCN(C)CCOCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ CHRNB2 P17787 1/20 0.47
▸ CHRNB4 P30926 1/20 0.47
▸ CHRNA3 P32297 1/20 0.47
▸ CHRNA4 P43681 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ SIGMAR1 Q99720 3/20 0.46
▸ TMEM97 Q5BJF2 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ ACHE P22303 6/20 0.45

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
SCHEMBL30159302 0.91 SMN1; SMN2 (0.49) SMN1; SMN2L3MBTL1LMNAALDH1A1CYP3A4
SCHEMBL30316654 0.83 L3MBTL1 (0.50) SMN1; SMN2L3MBTL1LMNATDP1MAPT
SCHEMBL12088080 0.83 HTT (0.67) SMN1; SMN2L3MBTL1LMNACHRNB2CHRNB4
SCHEMBL30159248 0.82 SMN1; SMN2 (0.66) SMN1; SMN2L3MBTL1LMNAALDH1A1CYP3A4
SCHEMBL12653650 0.79 HTT (0.62) SMN1; SMN2L3MBTL1LMNACHRNB2CHRNB4
SCHEMBL23016769 0.79 HTT (0.54) SMN1; SMN2L3MBTL1LMNAALDH1A1HTT
SCHEMBL17771999 0.78 HTT (0.72) SMN1; SMN2L3MBTL1LMNAHTTMAPT
SCHEMBL18081347 0.77 HTT (0.59) SMN1; SMN2L3MBTL1LMNAHTTMAPT
SCHEMBL14288941 0.77 LMNA (0.69) SMN1; SMN2L3MBTL1LMNAALDH1A1CYP3A4
SCHEMBL28855527 0.77 LMNA (0.54) SMN1; SMN2L3MBTL1LMNAALDH1A1HTT

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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