SCHEMBL21782634

SCHEMBL21782634

CCN(CC)CCNCCNC(=O)C(I)CCCNC(=N)N

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DPP7 Q9UHL4 2/20 0.33
▸ PAOX Q6QHF9 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ RRM1 P23921 1/20 0.32
▸ TSHR P16473 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ SLC22A2 O15244 1/20 0.31
▸ SLC22A1 O15245 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ GNAI3 P08754 1/20 0.31
▸ GNAO1 P09471 1/20 0.31
▸ GNAI1 P63096 1/20 0.31
▸ P4HB P07237 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ BLM P54132 1/20 0.30
▸ PMP22 Q01453 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
SCHEMBL21782577 0.86 PAOX (0.33) DPP7PAOXALDH1A1RRM1TSHR
SCHEMBL16263596 0.84 SIRT1 (0.33) DPP7PAOXALDH1A1TSHRLMNA
SCHEMBL21782580 0.84 DPP7 (0.36) DPP7ALDH1A1RRM1LMNAGNAI3
SCHEMBL20620313 0.82 NPY4R (0.32) PAOXALDH1A1
SCHEMBL21782579 0.81 DPP7 (0.32) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL21782697 0.79 DNM1 (0.37) DPP7PAOXALDH1A1RRM1GNAI3
SCHEMBL21782630 0.77 GNAI3 (0.39) DPP7PAOXALDH1A1RRM1GNAI3
SCHEMBL21782581 0.77 DPP7 (0.38) DPP7PAOXALDH1A1RRM1GNAI3
SCHEMBL21782635 0.77 PAOX (0.42) DPP7PAOXALDH1A1LMNA
SCHEMBL21782715 0.73 DPP7 (0.39) DPP7ALDH1A1RRM1LMNAGNAI3

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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