SCHEMBL7799764

SCHEMBL7799764

C=CCc1c(NCCCCl)n(C)c(=O)n(C)c1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 4/20 0.33
HTT P42858 4/20 0.33
LMNA P02545 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MAPK1 P28482 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GALR3 O60755 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
MAPT P10636 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
PMP22 Q01453 1/20 0.31
HIF1A Q16665 1/20 0.31
KDM4E B2RXH2 2/20 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
SCHEMBL7799826 0.77 CYP3A4 (0.45) ADORA2BHTTMAPK1MAPTCYP3A4
SCHEMBL7799619 0.76 ADORA2B (0.32) ADORA2BSMN1; SMN2MAPTCYP3A4ADRA2A
SCHEMBL7799618 0.68 ADORA2B (0.32) ADORA2BMAPTCYP3A4ADRA2AADRA2B
SCHEMBL10838399 0.64 KDM4E (0.35) ADORA2BLMNAMAPK1TSHRMAPT
SCHEMBL29398659 0.64 ADORA2B (0.38) ADORA2BHTTL3MBTL1TSHRMAPT
SCHEMBL7793927 0.61 CYP1A2 (0.73) LMNAL3MBTL1MAPK1SMN1; SMN2TSHR
SCHEMBL10837423 0.61 CYP3A4 (0.44) ADORA2BHTTLMNASMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL30122730 0.60 CYP1A2 (0.71) LMNAL3MBTL1MAPK1SMN1; SMN2TSHR
SCHEMBL9385726 0.60 CYP3A4 (0.43) ADORA2BHTTLMNAMAPK1SMN1; SMN2
SCHEMBL10838711 0.60 CYP3A4 (0.43) ADORA2BHTTLMNAMAPK1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0796251-B1 URACIL DERIVATIVES BYK GULDEN LOMBERG CHEM FAB (DE) 2001-10-17 EP disclosed
US-6046329-A Uracil derivatives BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-04-04 US disclosed
EP-0796251-A1 URACIL DERIVATIVES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1997-09-24 EP disclosed
WO-1996017831-A1 URACIL DERIVATIVES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1996-06-13 WO disclosed