SCHEMBL20201774

SCHEMBL20201774

C[C@@H](NCCCCCCCN1CC(=O)NC1=O)c1ccc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DUT P33316 6/20 0.51
CNR2 P34972 1/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38
ADRB2 P07550 2/20 0.37
ADRB1 P08588 2/20 0.37
MMP9 P14780 1/20 0.37
IDH1 O75874 3/20 0.37
PDE2A O00408 1/20 0.35

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
SCHEMBL22751405 0.83 DUT (0.71) DUTCNR2
SCHEMBL20207690 0.77 DUT (0.56) DUT
SCHEMBL20207641 0.75 DUT (0.55) DUTCNR2IDH1
SCHEMBL20201788 0.72 DUT (0.52) DUT
SCHEMBL172347 0.71 CYP1A2 (0.49) CNR2MEN1CYP1A2CYP2D6TSHR
SCHEMBL20201798 0.71 DUT (0.59) DUT
SCHEMBL20207747 0.71 DUT (0.44) DUTMEN1KMT2AIDH1
SCHEMBL10232086 0.70 MMP9 (0.47) MEN1CYP1A2CYP2D6TSHRKMT2A
SCHEMBL354252 0.70 MMP9 (0.47) MEN1CYP1A2CYP2D6TSHRKMT2A
SCHEMBL354251 0.70 MMP9 (0.47) MEN1CYP1A2CYP2D6TSHRKMT2A

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-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed