SCHEMBL3753029

SCHEMBL3753029

COc1ccc2ccc(F)c(C(CO)CN3CC[C@@H](C(NC(=O)O)C(C)(C)C)C3)c2n1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.33
KCNH2 Q12809 6/20 0.32
MTNR1A P48039 5/20 0.32
MTNR1B P49286 5/20 0.32
HTR2C P28335 4/20 0.32
PTGS2 P35354 1/20 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
SCHEMBL1036797 0.81 SLC2A1 (0.42) SLC2A1KCNH2MTNR1AMTNR1BHTR2C
SCHEMBL3144806 0.79 SLC2A1 (0.33) SLC2A1KCNH2MTNR1AMTNR1BHTR2C
SCHEMBL4797081 0.78 CKS1B (0.37) KCNH2MTNR1AMTNR1BHTR2C
SCHEMBL3217443 0.78 SLC2A1 (0.35) SLC2A1KCNH2MTNR1AMTNR1BHTR2C
SCHEMBL1267791 0.78 SLC2A1 (0.40) SLC2A1KCNH2MTNR1AMTNR1B
SCHEMBL1082893 0.77 KCNH2 (0.37) SLC2A1KCNH2MTNR1AMTNR1BHTR2C
SCHEMBL3753033 0.75 PDCD1 (0.36) SLC2A1KCNH2MTNR1AMTNR1BHTR2C
SCHEMBL3220013 0.74 TRPV3 (0.40)
SCHEMBL3153644 0.71 MTNR1A (0.41) SLC2A1KCNH2MTNR1AMTNR1BHTR2C
SCHEMBL3214187 0.71 PTGS2 (0.37) KCNH2MTNR1AMTNR1BHTR2CPTGS2

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-2176262-A1 TRICYCLIC COMPOUNDS AS ANTIBACTERIALS Glaxo Group Limited (GB) 2010-04-21 EP disclosed
WO-2008128962-A1 TRICYCLIC COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed