SCHEMBL4750102

SCHEMBL4750102

Cc1ccccc1NCC[C@@H]1CN(C(=O)O)CCN1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
REN P00797 5/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ITGB3 P05106 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGAV P06756 1/20 0.38
ITGA5 P08648 1/20 0.38
ITGA4 P13612 1/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA4 P22748 4/20 0.38
CA9 Q16790 4/20 0.38
METAP2 P50579 1/20 0.37
ADRB1 P08588 1/20 0.37
EPHX2 P34913 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL4289461 0.86 EBP (0.40) MAPTKMT2ACA1CA2CA4
SCHEMBL4291328 0.86 CA1 (0.38) KMT2AMEN1CA1CA2CA4
SCHEMBL4290915 0.84 KMT2A (0.41) MAPTHTTKMT2AMEN1GAA
SCHEMBL4294740 0.84 MAN1B1 (0.43) RENCA1CA2CA4CA9
SCHEMBL4291053 0.83 KDM4E (0.39) MAPTKMT2AMEN1CA1CA2
SCHEMBL4281787 0.83 MEN1 (0.41) MAPTKMT2AMEN1GAA
SCHEMBL4289734 0.82 MAPT (0.43) MAPTHTTKMT2AMEN1GAA
SCHEMBL4289730 0.82 MAPT (0.43) MAPTHTTKMT2AMEN1GAA
SCHEMBL4281693 0.80 CCR3 (0.39) KMT2AMEN1ADRB1GAA
SCHEMBL4287399 0.79 LTA4H (0.48) MAPTHTT

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-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed