SCHEMBL29951295

SCHEMBL29951295

CCCCN(CC)Cc1ccc(OC)c(B(O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.47
BCHE P06276 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.41
HTR1A P08908 1/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.40
HTR2B P41595 1/20 0.40
HTR5A P47898 1/20 0.40
HTR6 P50406 1/20 0.40

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
SCHEMBL29957129 0.86 HTR1A (0.51) ACHEBCHEMEN1ALDH1A1KMT2A
SCHEMBL29954667 0.81 ACHE (0.47) ACHEBCHEMEN1ALDH1A1KMT2A
SCHEMBL29952592 0.81 BCHE (0.44) ACHEBCHEMEN1ALDH1A1KMT2A
SCHEMBL11659769 0.79 ACHE (0.50) ACHEALDH1A1
SCHEMBL29951579 0.78 ACHE (0.47) ACHEBCHE
SCHEMBL1416971 0.76 HTR7 (0.55) ACHEBCHEMEN1ALDH1A1KMT2A
SCHEMBL29950795 0.76 ALDH1A1 (0.42) MEN1ALDH1A1KMT2AHTR1AHTR2C
SCHEMBL29951450 0.75 GABRA1 (0.49) MEN1ALDH1A1KMT2A
SCHEMBL5991497 0.74 ENPP2 (0.48) KMT2A
SCHEMBL20871857 0.73 MAPT (0.54) MAPT

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