SCHEMBL21782696

SCHEMBL21782696

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GNAI3 P08754 1/20 0.41
▸ GNAO1 P09471 1/20 0.41
▸ GNAI1 P63096 1/20 0.41
▸ DPP7 Q9UHL4 2/20 0.41
▸ RRM1 P23921 1/20 0.40
▸ SIRT6 Q8N6T7 1/20 0.38
▸ SIRT1 Q96EB6 1/20 0.38
▸ PAOX Q6QHF9 2/20 0.37
▸ NOS1 P29475 1/20 0.36
▸ ALOX15 P16050 1/20 0.35
▸ NPY4R P50391 4/20 0.34
▸ NPY1R P25929 3/20 0.34
▸ NPY2R P49146 3/20 0.34
▸ NPY5R Q15761 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CNR1 P21554 1/20 0.34

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 0.95 DPP7 (0.41) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL21782715 0.91 DPP7 (0.39) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL20169777 0.84 DPP7 (0.51) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL27354286 0.83 ALOX15 (0.37) DPP7ALOX15NPY4RNPY1RNPY2R
SCHEMBL20072809 0.83 DPP7 (0.53) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL21782630 0.82 GNAI3 (0.39) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL16260144 0.82 SIRT6 (0.43) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL14627818 0.81 DPP7 (0.56) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL20072685 0.81 GNAI3 (0.52) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL21782629 0.81 GNAI3 (0.46) GNAI3GNAO1GNAI1DPP7RRM1

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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