SCHEMBL21782708

SCHEMBL21782708

COCC(CCCNC(=N)N)NC(=O)C(I)CCCCN

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GNAI3 P08754 1/20 0.35
▸ GNAO1 P09471 1/20 0.35
▸ GNAI1 P63096 1/20 0.35
▸ SIRT6 Q8N6T7 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.35
▸ NPY4R P50391 6/20 0.33
▸ NPY1R P25929 4/20 0.33
▸ TLR2 O60603 4/20 0.32
▸ DDAH1 O94760 1/20 0.32
▸ PAOX Q6QHF9 2/20 0.31
▸ NPY2R P49146 3/20 0.31
▸ NPY5R Q15761 3/20 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
SCHEMBL21782583 0.82 NPY4R (0.46) GNAI3GNAO1GNAI1SIRT6SIRT1
SCHEMBL21782630 0.76 GNAI3 (0.39) GNAI3GNAO1GNAI1SIRT6SIRT1
SCHEMBL21782581 0.73 DPP7 (0.38) GNAI3GNAO1GNAI1SIRT6SIRT1
SCHEMBL21782713 0.73 NPY4R (0.38) NPY4RNPY1RPAOXNPY2RNPY5R
SCHEMBL5974381 0.70 NPY4R (0.37) SIRT6SIRT1NPY4RNPY1RTLR2
SCHEMBL10792564 0.70 NPY4R (0.57) GNAI3GNAO1GNAI1SIRT6SIRT1
SCHEMBL10792547 0.70 NPY4R (0.57) GNAI3GNAO1GNAI1SIRT6SIRT1
SCHEMBL16263595 0.70 NPY4R (0.48) GNAI3GNAO1GNAI1SIRT6SIRT1
SCHEMBL21782580 0.70 DPP7 (0.36) GNAI3GNAO1GNAI1SIRT6SIRT1
SCHEMBL5976008 0.70 NPY4R (0.33) GNAI3GNAO1GNAI1SIRT6SIRT1

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
EP-2753613-B1 DERIVATIVES OF XANTHONE COMPOUNDS AGENCY SCIENCE TECH & RES (SG) 2020-03-04 — — EP disclosed
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