SCHEMBL4028849

SCHEMBL4028849

C=C(C(N)=O)c1ccc(OCCN(C(C)C)C(C)C)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.54
HTR2C P28335 1/20 0.54
LTB4R Q15722 1/20 0.48
PRSS1 P07477 2/20 0.47
MAPK1 P28482 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
SCHEMBL5132218 0.88 MAPK1 (0.62) MCHR1HTR2CLTB4RPRSS1MAPK1
SCHEMBL28450295 0.82 PRSS1 (0.54) PRSS1MAPK1
SCHEMBL28455576 0.78 TP53 (0.51) PRSS1MAPK1
SCHEMBL28463720 0.77 TP53 (0.46) PRSS1MAPK1
SCHEMBL6174553 0.77 MCHR1 (0.55) MCHR1HTR2C
SCHEMBL4028851 0.75 FDPS (0.58) MAPK1
SCHEMBL4198415 0.75 GAA (0.55) MCHR1HTR2C
SCHEMBL6806735 0.73 MCHR1 (0.51) MCHR1HTR2C
SCHEMBL14558165 0.73 TSHR (0.59) MCHR1HTR2CLTB4R
SCHEMBL6204180 0.72 GAA (0.47) MCHR1HTR2CMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648448-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-04-01 EP disclosed
EP-1648448-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-04-26 EP disclosed
WO-2005011681-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 WO disclosed