SCHEMBL11797948

SCHEMBL11797948

CCCCN(CCCC)Cc1ccccc1CN(CCCC)CCCC

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
BCHE P06276 7/20 0.46
TSHR P16473 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
NFKB1 P19838 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ACHE P22303 2/20 0.44
LMNA P02545 1/20 0.44
BLM P54132 1/20 0.44
KCNH2 Q12809 2/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL7132160 0.94 KCNH2 (0.51) MAPTMEN1KMT2ANPSR1BCHE
SCHEMBL7128102 0.93 KCNH2 (0.50) MAPTMEN1KMT2ANPSR1BCHE
SCHEMBL29601849 0.88 MAPT (0.62) MAPTMEN1KMT2ANPSR1BCHE
SCHEMBL10486437 0.86 HTR1A (0.56) MAPTMEN1KMT2ANPSR1BCHE
SCHEMBL11795231 0.86 HTR1A (0.53) MAPTBCHETSHRCYP1A2CYP2D6
SCHEMBL7125709 0.85 KCNH2 (0.56) MAPTBCHETSHRCYP1A2CYP2D6
SCHEMBL29951980 0.85 LIPG (0.56) MAPTMEN1KMT2ANPSR1BCHE
SCHEMBL7760697 0.84 KCNH2 (0.59) MAPTBCHETSHRCYP1A2CYP2D6
SCHEMBL8724646 0.84 KCNH2 (0.59) MAPTBCHETSHRCYP1A2CYP2D6
SCHEMBL8719691 0.84 KCNH2 (0.59) MAPTBCHETSHRCYP1A2CYP2D6

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-3971680-A AROMATIC QUATERNARY AMMONIUM POLYMER THE SHERWIN-WILLIAMS COMPANY (US) 1976-07-27 US disclosed