SCHEMBL29953487

SCHEMBL29953487

COCCCN(C)Cc1ccccc1B(O)O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.48
LIPG Q9Y5X9 1/20 0.41
BCHE P06276 4/20 0.41
ACHE P22303 3/20 0.41
CHRM1 P11229 1/20 0.41
APP P05067 3/20 0.40
MLNR O43193 1/20 0.39
MAOB P27338 3/20 0.39
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2118773 0.81 LIPG (0.44) CHRM2LIPGBCHEACHECHRM1
SCHEMBL29952335 0.80 SLC6A2 (0.41) CHRM2BCHEACHECHRM1APP
SCHEMBL29950699 0.80 KMT2A (0.44) LIPGBCHEACHELMNA
SCHEMBL2119569 0.78 CARM1 (0.53) CHRM2LIPG
SCHEMBL533817 0.77 LIPG (0.62) LIPGLMNA
SCHEMBL14753645 0.77 LIPG (0.47) CHRM2LIPGBCHEACHECHRM1
SCHEMBL14307656 0.75 CHRM2 (0.42) CHRM2BCHEACHECHRM1APP
SCHEMBL29957562 0.74 L3MBTL1 (0.41) BCHEACHEMLNRLMNAL3MBTL1
SCHEMBL29954575 0.74 CHRM2 (0.47) CHRM2BCHEACHECHRM1APP
SCHEMBL29954989 0.74 LPL (0.42) LIPGBCHEACHEMLNRLMNA

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed