SCHEMBL29954575

SCHEMBL29954575

COCCCN(C)Cc1cc(B(O)O)ccc1OC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.47
APP P05067 3/20 0.42
BCHE P06276 5/20 0.41
ACHE P22303 4/20 0.41
CHRM1 P11229 1/20 0.41
MAOB P27338 4/20 0.38
MAOA P21397 1/20 0.38
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 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
SCHEMBL29952179 0.86 CHRM2 (0.50) CHRM2APPBCHEACHECHRM1
SCHEMBL29951863 0.83 ALDH1A1 (0.40) CHRM2APPACHEMEN1ALDH1A1
SCHEMBL29954150 0.81 CHRM2 (0.40) CHRM2APPBCHEACHECHRM1
SCHEMBL18706356 0.79 ALDH1A1 (0.54) MEN1ALDH1A1KMT2A
SCHEMBL29954989 0.79 LPL (0.42) BCHEACHEMEN1KMT2A
SCHEMBL29951258 0.78 OPRM1 (0.46) BCHEACHEMEN1ALDH1A1KMT2A
SCHEMBL2555682 0.77 ALDH1A1 (0.37) CHRM2BCHEACHEMEN1ALDH1A1
SCHEMBL29951479 0.77 ENPP2 (0.49) BCHEACHE
SCHEMBL1024456 0.75 ENPP2 (0.46) MEN1ALDH1A1KMT2A
SCHEMBL29954950 0.74 HTR1A (0.42) APPBCHEALDH1A1

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