SCHEMBL16740665

SCHEMBL16740665

CC(O)NC(N)CCCN

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.39
TRPA1 O75762 1/20 0.39
SPHK1 Q9NYA1 1/20 0.34
GSR P00390 1/20 0.31
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 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
SCHEMBL11456015 0.82 SPHK1 (0.43) TRPV1TRPA1SPHK1DPP4DPP8
SCHEMBL4583584 0.80 SPHK1 (0.52) TRPV1TRPA1SPHK1
SCHEMBL4809730 0.80 NFKB1 (0.35) GSR
SCHEMBL16740634 0.77 TRPV1 (0.35) TRPV1TRPA1SPHK1
SCHEMBL4582995 0.76
SCHEMBL8335629 0.76 ALDH1A1 (0.32)
SCHEMBL4579793 0.75
SCHEMBL29203887 0.73 TRPV1 (0.39) TRPV1TRPA1GSR
SCHEMBL27699260 0.71 TRPV1 (0.33) TRPV1TRPA1
SCHEMBL1470174 0.70

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
US-20150191645-A1 ANTI-AGGLOMERANTS FOR THE PREVENTION OF HYDRATES Lubrizol Oilfield Solutions, Inc. 2015-07-09 US disclosed
WO-2015077296-A2 ANTI-AGGLOMERANTS FOR THE PREVENTION OF HYDRATES WEATHERFORD/LAMB, INC. (US) 2015-05-28 WO disclosed