SCHEMBL793948

SCHEMBL793948

CC(C)(C)N(C(=O)O)C(C(=O)NCCO)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 2/20 0.45
GPR139 Q6DWJ6 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGAV P06756 1/20 0.39
ITGB5 P18084 1/20 0.39
ITGB6 P18564 1/20 0.39
GPR52 Q9Y2T5 1/20 0.38
PDE2A O00408 1/20 0.37
MAPK14 Q16539 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
CETP P11597 1/20 0.36
OPRM1 P35372 1/20 0.36

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
SCHEMBL794506 0.84 ALDH1A1 (0.42) GPR139CYP3A4TSHR
SCHEMBL10129769 0.78 VNN1 (0.48) VNN1GPR139TRPM8GPR52MAPK14
SCHEMBL15226281 0.77 GPR139 (0.46) VNN1GPR139TRPM8ITGB3ITGAV
Hydrochloric Acid SCHEMBL15226549 0.77 VNN1 (0.47) VNN1GPR139TRPM8GPR52MAPK14
SCHEMBL16715277 0.76 PPARG (0.40) GPR139CYP3A4OPRM1
SCHEMBL10129744 0.75 CTSS (0.51) VNN1GPR139
SCHEMBL27924874 0.73 VNN1 (0.43) VNN1GPR139TRPM8GPR52
SCHEMBL18920508 0.73 TRPM8 (0.47) GPR139TRPM8OPRM1
SCHEMBL18920493 0.73 TRPM8 (0.47) GPR139TRPM8OPRM1
SCHEMBL18920495 0.73 TRPM8 (0.47) GPR139TRPM8OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616448-B1 SUBSTITUTED PHENYLACETATE AND PHENYLPROPANE AMIDES AND USE THEREOF BAYER IP GMBH (DE) 2016-07-20 EP disclosed
US-9034855-B2 Substituted phenylacetate and phenylpropane amides and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-19 US disclosed
EP-2616448-A1 SUBSTITUTED PHENYLACETATE AND PHENYLPROPANE AMIDES AND USE THEREOF Bayer Intellectual Property GmbH (DE) 2013-07-24 EP disclosed
WO-2012035075-A1 SUBSTITUTED PHENYLACETATE AND PHENYLPROPANE AMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-22 WO disclosed