SCHEMBL28829356

SCHEMBL28829356

CCCCCCCCCCCCCCCC(C)C(N)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.47
HTR2A P28223 1/20 0.45
DPP4 P27487 2/20 0.45
ALDH1A1 P00352 2/20 0.43
ASAH1 Q13510 1/20 0.43
ACER2 Q5QJU3 1/20 0.43
OPRM1 P35372 2/20 0.42
SLC2A1 P11166 1/20 0.41
SPHK1 Q9NYA1 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
NAAA Q02083 2/20 0.40
POLB P06746 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL26113190 1.00 CSNK1E (0.47) CSNK1EHTR2ADPP4ALDH1A1ASAH1
SCHEMBL6366902 1.00 CSNK1E (0.47) CSNK1EHTR2ADPP4ALDH1A1ASAH1
Hydrochloric Acid SCHEMBL631054 0.98 CSNK1E (0.46) CSNK1EHTR2ADPP4ALDH1A1ASAH1
Iodide SCHEMBL11815597 0.98 CSNK1E (0.46) CSNK1EHTR2ADPP4ALDH1A1ASAH1
SCHEMBL15267094 0.98 DPP4 (0.46) CSNK1EHTR2ADPP4ALDH1A1ASAH1
Hydrochloric Acid SCHEMBL10624082 0.97 CSNK1E (0.45) CSNK1EHTR2ADPP4ALDH1A1ASAH1
SCHEMBL27092910 0.85 DPP4 (0.52) DPP4ALDH1A1
SCHEMBL1091524 0.84 CSNK1E (0.49) CSNK1EHTR2ADPP4OPRM1SLC2A1
SCHEMBL28709961 0.84 CSNK1E (0.49) CSNK1EHTR2ADPP4OPRM1SLC2A1
SCHEMBL1090571 0.84 CSNK1E (0.49) CSNK1EHTR2ADPP4OPRM1SLC2A1

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
CN-105899488-B By the fluorinated method of compound 美国陶氏益农公司 2019-09-03 CN disclosed
CN-105899488-A Process for fluorinating compounds 美国陶氏益农公司 2016-08-24 CN disclosed