SCHEMBL11088611

SCHEMBL11088611

O=C(NC1=NCCCN1)Nc1c(F)cccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
ADRA2A P08913 2/20 0.47
ADRA2B P18089 2/20 0.47
ADRA2C P18825 2/20 0.47
ADRA1D P25100 2/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1B P35368 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
SLC22A1 O15245 1/20 0.47
SLC22A3 O75751 1/20 0.47
HTR1A P08908 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HRH2 P25021 1/20 0.47
CYP2C19 P33261 1/20 0.47
OPRK1 P41145 1/20 0.47
HIF1A Q16665 1/20 0.47
SLC47A1 Q96FL8 1/20 0.47
NISCH Q9Y2I1 1/20 0.47

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
Hydrochloric Acid SCHEMBL11179694 0.95 ADRA2A (0.47) LMNAADRA2AADRA2BADRA2CADRA1D
SCHEMBL11080580 0.91 KMT2A (0.48) LMNAADRA2AADRA2BADRA2CADRA1D
SCHEMBL10972914 0.91 ADRA2A (0.52) LMNAADRA2AADRA2BADRA2CADRA1D
Hydrochloric Acid SCHEMBL10975432 0.90 ADRA2A (0.54) LMNAADRA2AADRA2BADRA2CADRA1D
SCHEMBL10975965 0.87 ADRA2A (0.51) LMNAADRA2AADRA2BADRA2CADRA1D
Hydrochloric Acid SCHEMBL11183992 0.86 KMT2A (0.46) LMNAADRA2AADRA2BADRA2CADRA1D
SCHEMBL11085492 0.86 ADRA1D (0.45) LMNAADRA2AADRA2BADRA2CADRA1D
SCHEMBL10972755 0.85 CFB (0.49) LMNAADRA2AADRA2BADRA2CADRA1D
SCHEMBL10975728 0.85 LMNA (0.47) LMNAADRA2AADRA2BADRA2CADRA1D
Hydrochloric Acid SCHEMBL10976009 0.85 ADRA2A (0.51) LMNAADRA2AADRA2BADRA2CADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4466966-A N-aryl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ureas for intestinal disorders MCNEILAB, INC. (US) 1984-08-21 US disclosed
US-4285948-A ADMINISTERING CARDIOTONIC AGENTS MCNEILAB, INC. (US) 1981-08-25 US disclosed