SCHEMBL2633077

SCHEMBL2633077

NCC(N)C(=O)NCC(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 3/20 0.36
DPP4 P27487 2/20 0.36
DPP9 Q86TI2 2/20 0.36
RRM1 P23921 1/20 0.34
METAP1 P53582 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
ALOX15 P16050 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
KMT2A Q03164 1/20 0.32
DPP8 Q6V1X1 1/20 0.31
TERT O14746 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
PTGS2 P35354 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
SCHEMBL2739489 1.00 DPP7 (0.36) DPP7DPP4DPP9RRM1METAP1
SCHEMBL1274426 0.82 CA12 (0.35) DPP7DPP4DPP9RRM1METAP1
SCHEMBL2189880 0.82 CA12 (0.35) DPP7DPP4DPP9RRM1METAP1
SCHEMBL2739680 0.82 ALDH1A1 (0.48) DPP7DPP4DPP9BLMKMT2A
SCHEMBL2739537 0.82 ALDH1A1 (0.48) DPP7DPP4DPP9BLMKMT2A
SCHEMBL2739441 0.82 ALDH1A1 (0.48) DPP7DPP4DPP9BLMKMT2A
SCHEMBL20807626 0.80 PTGS1 (0.44) DPP7METAP1ALOX15BLMPMP22
SCHEMBL21153856 0.80 PTGS1 (0.44) DPP7METAP1ALOX15BLMPMP22
SCHEMBL24709575 0.78 SLC22A6 (0.37) ALOX15BLMPMP22KMT2AALDH1A1
SCHEMBL7541728 0.78 BLM (0.54) DPP7DPP4DPP9RRM1METAP1

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-2444411-A1 TRIPEPTIDE BORONIC ACID OR BORONIC ESTER, PREPARATIVE METHOD AND USE THEREOF Peking University (CN) 2012-04-25 EP disclosed