SCHEMBL7595164

SCHEMBL7595164

CC(C)CC(c1ccccn1)N(C(CC(C)C)c1ccccn1)C(CC(C)C)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
KCNA5 P22460 4/20 0.46
KCNH2 Q12809 3/20 0.46
CYP2D6 P10635 4/20 0.44
KCNE1 P15382 1/20 0.44
SLC6A2 P23975 4/20 0.42
SLC6A4 P31645 4/20 0.42
CHRM2 P08172 4/20 0.42
CYP1A2 P05177 2/20 0.42
SCN1A P35498 2/20 0.42
SCN2A Q99250 2/20 0.42
SCN3A Q9NY46 2/20 0.42
CYP3A4 P08684 1/20 0.42
SLC6A3 Q01959 3/20 0.41
NPSR1 Q6W5P4 1/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HRH1 P35367 3/20 0.38
CHRM1 P11229 2/20 0.38

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
SCHEMBL10203032 0.79 TSHR (0.48) TSHRKCNA5KCNH2CYP2D6KCNE1
SCHEMBL23689568 0.79 TSHR (0.48) TSHRKCNA5KCNH2CYP2D6KCNE1
SCHEMBL6853387 0.76 TSHR (0.46) TSHRKCNA5KCNH2CYP2D6KCNE1
SCHEMBL21742037 0.76 TSHR (0.46) TSHRKCNA5KCNH2CYP2D6KCNE1
SCHEMBL31482241 0.76 TSHR (0.46) TSHRKCNA5KCNH2CYP2D6KCNE1
SCHEMBL12391858 0.76 TSHR (0.46) TSHRKCNA5KCNH2CYP2D6KCNE1
SCHEMBL16124412 0.76 TSHR (0.46) TSHRKCNA5KCNH2CYP2D6KCNE1
SCHEMBL8297661 0.76 TSHR (0.46) TSHRKCNA5KCNH2CYP2D6KCNE1
SCHEMBL12197899 0.76 TSHR (0.46) TSHRKCNA5KCNH2CYP2D6KCNE1
SCHEMBL14873379 0.76 TSHR (0.46) TSHRKCNA5KCNH2CYP2D6KCNE1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1208185-A2 COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2002-05-29 EP disclosed
WO-2001016261-A2 COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2001-03-08 WO disclosed