SCHEMBL8552468

SCHEMBL8552468

COC(=O)C1CN(Cc2nc(-c3ccccc3)c(-c3ccccc3)o2)CCN1CC(=O)Nc1c(C)cccc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 7/20 0.39
NR4A1 P22736 1/20 0.39
NR4A3 Q92570 1/20 0.39
RXRA P19793 4/20 0.38
SCN4A P35499 2/20 0.37
RXRB P28702 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
ADRA1A P35348 1/20 0.37
DRD3 P35462 1/20 0.37
HTR2B P41595 1/20 0.37
KCNH2 Q12809 1/20 0.37
SCN5A Q14524 1/20 0.37

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
SCHEMBL8554585 0.91 RXRA (0.43) NR4A2NR4A1NR4A3RXRASCN4A
SCHEMBL8552887 0.84 NR4A2 (0.47) NR4A2NR4A1NR4A3RXRARXRB
SCHEMBL8554766 0.81 KDR (0.45) NR4A2NR4A1NR4A3RXRARXRB
SCHEMBL8556121 0.81 NR4A2 (0.44) NR4A2NR4A1NR4A3RXRARXRB
SCHEMBL8558999 0.81 NR4A2 (0.44) NR4A2NR4A1NR4A3RXRARXRB
SCHEMBL8555365 0.78 KDM4E (0.40) NR4A2NR4A1NR4A3RXRARXRB
SCHEMBL8552619 0.78 SLC29A1 (0.53) NR4A2NR4A1NR4A3RXRARXRB
SCHEMBL8554772 0.78 SLC29A1 (0.53) NR4A2NR4A1NR4A3RXRARXRB
SCHEMBL8555057 0.78 NR4A2 (0.51) NR4A2NR4A1NR4A3RXRARXRB
SCHEMBL8598990 0.77 SLC29A1 (0.45) NR4A2NR4A1NR4A3RXRARXRB

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-0582164-B1 Adenosine re-uptake inhibiting derivatives of diphenyl oxazoles, thiazoles and imidazoles BRISTOL MYERS SQUIBB CO (US) 1998-12-23 EP claimed