SCHEMBL29954950

SCHEMBL29954950

CCCN(CCC)Cc1cc(B(O)O)ccc1OC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
BCHE P06276 9/20 0.41
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
ENPP2 Q13822 2/20 0.38
APP P05067 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37

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
SCHEMBL29951579 0.86 ACHE (0.47) BCHEPKMALOX15APP
SCHEMBL29953347 0.83 BCHE (0.41) BCHEPKMALOX15ENPP2APP
SCHEMBL29951283 0.81 ALDH1A1 (0.43) ALOX15ALDH1A1
SCHEMBL18706356 0.81 ALDH1A1 (0.54) ENPP2CA1CA2ALDH1A1POLB
SCHEMBL21396 0.80 ENPP2 (0.44) ENPP2CA1CA2ALDH1A1
SCHEMBL29952179 0.80 CHRM2 (0.50) BCHEAPP
SCHEMBL29950621 0.80 PKM (0.44) BCHEPKMALOX15ENPP2APP
SCHEMBL18529899 0.77 PDE4A (0.46) ENPP2CA1CA2
SCHEMBL29953032 0.77 ALDH1A1 (0.38) PKMALOX15ENPP2CA1CA2
SCHEMBL29957129 0.76 HTR1A (0.51) HTR1AHTR2CHTR2BBCHEALDH1A1

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