SCHEMBL21782715

SCHEMBL21782715

CC(CCCNC(=N)N)C(=O)NCCNCCN

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP7 Q9UHL4 2/20 0.39
▸ RRM1 P23921 1/20 0.38
▸ GNAI3 P08754 1/20 0.36
▸ GNAO1 P09471 1/20 0.36
▸ GNAI1 P63096 1/20 0.36
▸ NPY4R P50391 5/20 0.33
▸ NPY1R P25929 3/20 0.33
▸ NPY2R P49146 3/20 0.33
▸ NPY5R Q15761 3/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA3 P07451 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA6 P23280 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA7 P43166 1/20 0.33

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
SCHEMBL21782662 0.92 DPP7 (0.41) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL21782696 0.91 GNAI3 (0.41) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL21782740 0.90 NPY4R (0.32) DPP7RRM1NPY4RNPY1RNPY2R
SCHEMBL22203822 0.86 DPP7 (0.41) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL21782577 0.85 PAOX (0.33) DPP7RRM1NPY4RNPY1RNPY2R
SCHEMBL21782580 0.85 DPP7 (0.36) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL16263607 0.85 SIRT6 (0.38) DPP7RRM1NPY4RNPY1RNPY2R
SCHEMBL16263592 0.84 SIRT6 (0.39) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL20169777 0.82 DPP7 (0.51) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL22203844 0.81 GNAI3 (0.44) DPP7RRM1GNAI3GNAO1GNAI1

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
Send feedback