SCHEMBL4797208

SCHEMBL4797208

COc1ccc2ccc(Br)c(C(CO)C[N+]3(NC(=O)[O-])CCCCC3)c2n1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.32
MTNR1B P49286 11/20 0.32
HTR2C P28335 3/20 0.32

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
SCHEMBL4428675 0.89 PTGS2 (0.35) MTNR1AMTNR1BHTR2C
SCHEMBL1723874 0.68 MTNR1A (0.36) MTNR1AMTNR1BHTR2C
SCHEMBL3228913 0.67 MTNR1A (0.40) MTNR1AMTNR1BHTR2C
SCHEMBL3153644 0.67 MTNR1A (0.41) MTNR1AMTNR1BHTR2C
SCHEMBL3216011 0.65 SLC2A1 (0.33) MTNR1AMTNR1BHTR2C
SCHEMBL1712054 0.65 MTNR1A (0.38) MTNR1AMTNR1BHTR2C
SCHEMBL3214187 0.62 PTGS2 (0.37) MTNR1AMTNR1BHTR2C
SCHEMBL1712055 0.61 MTNR1A (0.40) MTNR1AMTNR1BHTR2C
SCHEMBL1712179 0.60 MTNR1A (0.39) MTNR1AMTNR1BHTR2C
SCHEMBL1712093 0.59 MTNR1A (0.31) MTNR1AMTNR1B

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-1954697-A2 PERI CONDENSED TRICYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2008-08-13 EP disclosed
WO-2007081597-A2 PERI CONDENSED TRICYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-07-19 WO disclosed