SCHEMBL21782662

SCHEMBL21782662

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DPP7 Q9UHL4 2/20 0.41
▸ RRM1 P23921 1/20 0.41
▸ GNAI3 P08754 1/20 0.39
▸ GNAO1 P09471 1/20 0.39
▸ GNAI1 P63096 1/20 0.39
▸ ALOX15 P16050 1/20 0.36
▸ SIRT6 Q8N6T7 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPY4R P50391 5/20 0.35
▸ NPY1R P25929 3/20 0.35
▸ NPY2R P49146 3/20 0.35
▸ NPY5R Q15761 3/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ PAOX Q6QHF9 2/20 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
SCHEMBL21782696 0.95 GNAI3 (0.41) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL21782715 0.92 DPP7 (0.39) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL20169777 0.86 DPP7 (0.51) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL27354286 0.85 ALOX15 (0.37) DPP7ALOX15MEN1CYP1A2KMT2A
SCHEMBL20072809 0.84 DPP7 (0.53) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL21782581 0.83 DPP7 (0.38) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL7327484 0.83 DPP7 (0.53) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL17301799 0.83 DPP7 (0.53) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL16260140 0.83 SIRT6 (0.40) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL20072685 0.83 GNAI3 (0.52) 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
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