SCHEMBL28696189

SCHEMBL28696189

CNS(C)(=O)=O.COC(=O)C(N)CCCNC(=N)N

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 7/20 0.40
▸ NPY1R P25929 5/20 0.40
▸ ALOX15 P16050 1/20 0.37
▸ DPP7 Q9UHL4 1/20 0.35
▸ NPY2R P49146 4/20 0.34
▸ NPY5R Q15761 4/20 0.34
▸ CA12 O43570 3/20 0.32
▸ CA1 P00915 3/20 0.32
▸ CA2 P00918 3/20 0.32
▸ CA9 Q16790 3/20 0.32
▸ OTC P00480 1/20 0.32
▸ GNAI3 P08754 1/20 0.31
▸ GNAO1 P09471 1/20 0.31
▸ GNAI1 P63096 1/20 0.31
▸ PMP22 Q01453 1/20 0.31
▸ DDAH1 O94760 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
SCHEMBL157856 0.90 NPY4R (0.45) NPY4RNPY1RALOX15DPP7NPY2R
SCHEMBL2172217 0.90 NPY4R (0.45) NPY4RNPY1RALOX15DPP7NPY2R
SCHEMBL42488 0.90 NPY4R (0.45) NPY4RNPY1RALOX15DPP7NPY2R
SCHEMBL2236129 0.88 NPY4R (0.44) NPY4RNPY1RALOX15DPP7NPY2R
Hydrochloric Acid SCHEMBL940540 0.88 NPY4R (0.44) NPY4RNPY1RALOX15DPP7NPY2R
Guanidine SCHEMBL8907224 0.88 NPY4R (0.44) NPY4RNPY1RALOX15DPP7NPY2R
Hydrochloric Acid SCHEMBL866931 0.88 NPY4R (0.44) NPY4RNPY1RALOX15DPP7NPY2R
Hydrochloric Acid SCHEMBL2762373 0.88 NPY4R (0.44) NPY4RNPY1RALOX15DPP7NPY2R
Urea SCHEMBL6812514 0.88 NPY4R (0.44) NPY4RNPY1RALOX15DPP7NPY2R
Hydrochloric Acid SCHEMBL940539 0.88 NPY4R (0.44) NPY4RNPY1RALOX15DPP7NPY2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114034655-A Method for detecting activity of defibrase raw material and preparation thereof and application 北京赛升药业股份有限公司 2022-02-11 — — CN disclosed
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