SCHEMBL21782579

SCHEMBL21782579

CC(C)NCCNCCNC(=O)C(I)CCCNC(=N)N

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DPP7 Q9UHL4 2/20 0.32
▸ RRM1 P23921 1/20 0.31
▸ NPY4R P50391 6/20 0.31
▸ NPY5R Q15761 6/20 0.31
▸ NPY1R P25929 5/20 0.31
▸ NPY2R P49146 3/20 0.31
▸ GNAI3 P08754 1/20 0.30
▸ GNAO1 P09471 1/20 0.30
▸ GNAI1 P63096 1/20 0.30
▸ ALOX15 P16050 1/20 0.30

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
SCHEMBL21782580 0.88 DPP7 (0.36) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL21782740 0.86 NPY4R (0.32) DPP7RRM1NPY4RNPY5RNPY1R
SCHEMBL16263611 0.83 NPY4R (0.34) DPP7NPY4RNPY5RNPY1RNPY2R
SCHEMBL16263598 0.83 CACNA1B (0.36) NPY4RNPY5RNPY1RNPY2R
SCHEMBL21782634 0.81 DPP7 (0.33) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL21782630 0.80 GNAI3 (0.39) DPP7RRM1NPY4RNPY5RNPY1R
SCHEMBL21782581 0.80 DPP7 (0.38) DPP7RRM1NPY4RNPY5RNPY1R
SCHEMBL21782715 0.79 DPP7 (0.39) DPP7RRM1NPY4RNPY5RNPY1R
SCHEMBL21782697 0.77 DNM1 (0.37) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL16263607 0.76 SIRT6 (0.38) DPP7RRM1NPY4RNPY5RNPY1R

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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