SCHEMBL6209902

SCHEMBL6209902

CCCC(NC(=O)c1cc2cccc(OC)c2o1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccc[n+]([O-])c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.40
RXFP1 Q9HBX9 1/20 0.37
BMP1 P13497 4/20 0.37
MMP12 P39900 3/20 0.37
MMP2 P08253 1/20 0.37
MMP14 P50281 1/20 0.37
HTR3A P46098 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
MCHR1 Q99705 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
UGCG Q16739 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL4045579 0.90 HPGD (0.32) CHRNA7KDM4E
SCHEMBL6210507 0.89 CHRNA7 (0.45) CHRNA7RXFP1BMP1MMP12HTR3A
SCHEMBL6240769 0.88 CTSK (0.43)
SCHEMBL6242334 0.87 TAS1R3 (0.46) CHRNA7MMP2MMP14CHRNB2CHRNA4
SCHEMBL6237115 0.84 HRH3 (0.38) CHRNA7CHRNB2CHRNA4UGCGKDM4E
SCHEMBL4050961 0.83 CTSK (0.36) CHRNA7RXFP1KDM4E
SCHEMBL4044103 0.82 CTSK (0.42)
SCHEMBL4046844 0.80 HPGD (0.32) CHRNA7RXFP1KDM4E
SCHEMBL4045150 0.80 CTSK (0.44)
SCHEMBL6274440 0.80 CTSK (0.48)

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
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed