SCHEMBL3670912

SCHEMBL3670912

COc1ccc2c(n1)NC(=O)C(CCC(O)C[N+]1(C(C)(C)C)CCC(NC(=O)[O-])CC1)C2

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.32
HTR2C P28335 3/20 0.32
MTNR1A P48039 3/20 0.32
MTNR1B P49286 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
SCHEMBL17515246 0.86 HPGDS (0.33) HPGDSHTR2CMTNR1AMTNR1B
SCHEMBL4442191 0.77 MTNR1A (0.32) HPGDSHTR2CMTNR1AMTNR1B
SCHEMBL5744761 0.66 KCNH2 (0.34) HPGDSMTNR1AMTNR1B
SCHEMBL5307877 0.65 KCNH2 (0.47) MTNR1AMTNR1B
SCHEMBL5015196 0.63 KCNH2 (0.34)
SCHEMBL23900328 0.62 GAA (0.41) HTR2CMTNR1AMTNR1B
SCHEMBL29014262 0.62 GAA (0.41) HTR2CMTNR1AMTNR1B
SCHEMBL30314386 0.62 GAA (0.41) HTR2CMTNR1AMTNR1B
SCHEMBL23887518 0.62 CRBN (0.42) HTR2CMTNR1AMTNR1B
SCHEMBL23887515 0.62 CRBN (0.42) HTR2CMTNR1AMTNR1B

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-2238138-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS Glaxo Group Limited (GB) 2010-10-13 EP disclosed
WO-2009087153-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2009-07-16 WO disclosed