SCHEMBL15935952

SCHEMBL15935952

CCCCCN(C)NCC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 7/20 0.48
TSHR P16473 3/20 0.35
THRB P10828 1/20 0.35
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
KDM5A P29375 2/20 0.32
KDM4C Q9H3R0 2/20 0.32
KDM5C P41229 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
GGPS1 O95749 2/20 0.31

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
SCHEMBL7530285 0.97 DNM1 (0.52) DNM1TSHRTHRBS1PR2S1PR1
SCHEMBL11090614 0.97 DNM1 (0.52) DNM1TSHRTHRBS1PR2S1PR1
SCHEMBL15935966 0.97 DNM1 (0.52) DNM1TSHRTHRBS1PR2S1PR1
SCHEMBL17067235 0.97 DNM1 (0.52) DNM1TSHRTHRBS1PR2S1PR1
SCHEMBL2885824 0.92
SCHEMBL2852729 0.82 DNM1 (0.46) DNM1TSHRTHRBS1PR2S1PR1
SCHEMBL21016410 0.82 DNM1 (0.46) DNM1TSHRTHRBALDH1A1
SCHEMBL2883603 0.80
SCHEMBL17073505 0.80 DNM1 (0.50) DNM1TSHRTHRBS1PR2S1PR1
SCHEMBL1492466 0.80 DNM1 (0.50) DNM1TSHRTHRBALDH1A1

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-2764860-A1 Cupuassu fatty acid amidoamines and their derivatives BASF SA (BR) 2014-08-13 EP claimed
EP-2764860-A1 Cupuassu fatty acid amidoamines and their derivatives BASF SA (BR) 2014-08-13 EP disclosed