SCHEMBL21312920

SCHEMBL21312920

CCCN(CC)C(=O)C(N)CCC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ PMP22 Q01453 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ DPP4 P27487 4/20 0.38
▸ DPP9 Q86TI2 2/20 0.38
▸ DPP8 Q6V1X1 1/20 0.38
▸ CA12 O43570 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ LMNA P02545 2/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ DDAH1 O94760 1/20 0.31
▸ NOS1 P29475 1/20 0.31

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
SCHEMBL10891103 0.93 KMT2A (0.48) ALOX15BLMPMP22KMT2ADPP4
SCHEMBL6742412 0.93 KMT2A (0.48) ALOX15BLMPMP22KMT2ADPP4
SCHEMBL5791770 0.89 ALOX15 (0.52) ALOX15BLMPMP22KMT2ADPP4
SCHEMBL28494490 0.80 KMT2A (0.43) ALOX15BLMPMP22KMT2ACA12
SCHEMBL3353776 0.79 DPP4 (0.51) BLMDPP4DPP9DPP8ALDH1A1
SCHEMBL16240125 0.79 DPP4 (0.51) BLMDPP4DPP9DPP8ALDH1A1
SCHEMBL6464158 0.79 DPP4 (0.51) BLMDPP4DPP9DPP8ALDH1A1
SCHEMBL12085530 0.78 KMT2A (0.36) ALOX15BLMPMP22KMT2ADPP4
SCHEMBL24458242 0.74 DPP7 (0.46) DPP4DPP9DPP8CA12CA2
SCHEMBL1516453 0.74 DPP4 (0.54) BLMKMT2ADPP4DPP9DPP8

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
WO-2019162289-A1 AMINOMETHYL-FUNCTIONALIZED DENATONIUM DERIVATIVES, THEIR PREPARATION AND USE JULIUS-MAXIMILIANS-UNIVERSITAET WUERZBURG (DE) 2019-08-29 — — WO disclosed
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