SCHEMBL9989362

SCHEMBL9989362

C=Cc1ccc(CN(CCCO)CCCO)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HRH3 Q9Y5N1 1/20 0.36
ACKR3 P25106 1/20 0.36
HTT P42858 2/20 0.34
TDP1 Q9NUW8 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
BCHE P06276 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL20468064 0.96 ALDH1A1 (0.39) MAPTALDH1A1HRH3ACKR3HTT
SCHEMBL274543 0.89 HTT (0.42) MAPTALDH1A1HRH3HTTHDAC3
SCHEMBL13766098 0.85 MAPT (0.53) MAPTALDH1A1HRH3ACKR3HTT
SCHEMBL20464231 0.85 HTT (0.46) MAPTALDH1A1HTTHDAC3HDAC1
SCHEMBL611367 0.82 MAPT (0.61) MAPTALDH1A1HRH3BCHE
SCHEMBL4444675 0.82 MAPT (0.43) MAPTALDH1A1HRH3
SCHEMBL14889187 0.81 MAPT (0.54) MAPTHRH3
SCHEMBL21407976 0.81 MAPT (0.42) MAPTALDH1A1HRH3HTTHDAC3
SCHEMBL21407969 0.81 MAPT (0.46) MAPTHRH3
Hydrochloric Acid SCHEMBL4449053 0.81 MAPT (0.42) MAPTALDH1A1HRH3

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-1311572-B1 BIOCIDAL POLYURETHANE COMPOSITIONS AND METHOD OF USE 3M INNOVATIVE PROPERTIES CO (US) 2011-12-21 EP disclosed