SCHEMBL21782629

SCHEMBL21782629

CC(CCCNC(=N)CN)C(=O)NCCCCN

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GNAI3 P08754 1/20 0.46
▸ GNAO1 P09471 1/20 0.46
▸ GNAI1 P63096 1/20 0.46
▸ SIRT6 Q8N6T7 1/20 0.45
▸ SIRT1 Q96EB6 1/20 0.45
▸ PAOX Q6QHF9 2/20 0.42
▸ DPP7 Q9UHL4 2/20 0.42
▸ RRM1 P23921 1/20 0.41
▸ NMT2 O60551 1/20 0.36
▸ NMT1 P30419 1/20 0.36
▸ TLR2 O60603 1/20 0.36
▸ CHRND Q07001 5/20 0.35
▸ CHRNA1 P02708 1/20 0.35
▸ CHRNG P07510 1/20 0.35
▸ CHRNB1 P11230 1/20 0.35

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
SCHEMBL21782696 0.81 GNAI3 (0.41) GNAI3GNAO1GNAI1SIRT6SIRT1
SCHEMBL20374382 0.81 GNAI3 (0.54) GNAI3GNAO1GNAI1SIRT6SIRT1
SCHEMBL21782662 0.80 DPP7 (0.41) GNAI3GNAO1GNAI1SIRT6SIRT1
SCHEMBL14001785 0.80 GNAI3 (0.65) GNAI3GNAO1GNAI1SIRT6SIRT1
SCHEMBL16384386 0.78 GNAI3 (0.55) GNAI3GNAO1GNAI1SIRT6SIRT1
SCHEMBL20073076 0.78 GNAI3 (0.62) GNAI3GNAO1GNAI1SIRT6SIRT1
SCHEMBL16575044 0.77 GNAI3 (0.50) GNAI3GNAO1GNAI1SIRT6SIRT1
SCHEMBL16575047 0.77 GNAI3 (0.50) GNAI3GNAO1GNAI1SIRT6SIRT1
SCHEMBL16575046 0.77 GNAI3 (0.50) GNAI3GNAO1GNAI1SIRT6SIRT1
SCHEMBL20169781 0.76 GNAI3 (0.65) 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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