SCHEMBL16603000

SCHEMBL16603000

N[C@@H](Nc1ccccc1)[C@@H](N)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.56
TDP1 Q9NUW8 3/20 0.44
F2 P00734 1/20 0.44
CA1 P00915 1/20 0.41
KDM4E B2RXH2 1/20 0.39
LMNA P02545 3/20 0.39
CYP3A4 P08684 2/20 0.39
RECQL P46063 2/20 0.39
ALDH1A1 P00352 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
ATM Q13315 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL8465906 0.78 DPP4 (0.52) DPP4TDP1F2CA1KDM4E
SCHEMBL564576 0.76 TDP1 (0.48) DPP4TDP1F2KDM4ELMNA
SCHEMBL8433641 0.74 TDP1 (0.46) TDP1KDM4ELMNACYP3A4RECQL
SCHEMBL6702355 0.74 TDP1 (0.58) TDP1KDM4ELMNACYP3A4RECQL
SCHEMBL1878642 0.74 DPP4 (1.00) DPP4F2KDM4ELMNAALDH1A1
SCHEMBL644767 0.74 DPP4 (1.00) DPP4F2KDM4ELMNAALDH1A1
SCHEMBL851654 0.74 DPP4 (1.00) DPP4F2KDM4ELMNAALDH1A1
SCHEMBL2067094 0.74 DPP4 (1.00) DPP4F2KDM4ELMNAALDH1A1
SCHEMBL239938 0.74 DPP4 (1.00) DPP4F2KDM4ELMNAALDH1A1
SCHEMBL150159 0.74 DPP4 (1.00) DPP4F2KDM4ELMNAALDH1A1

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-2853892-A1 SEPARATING AGENT Daicel Corporation (JP) 2015-04-01 EP disclosed