SCHEMBL4728003

SCHEMBL4728003

COc1ccc(-c2cc3cnccc3n2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 20/20 0.54
NR1H3 Q13133 3/20 0.48

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
SCHEMBL14291620 0.91 NR1H2 (0.54) NR1H2NR1H3
SCHEMBL21566051 0.90 NR1H2 (0.53) NR1H2NR1H3
SCHEMBL14291983 0.88 NR1H2 (0.53) NR1H2NR1H3
SCHEMBL4725709 0.87 NR1H2 (0.52) NR1H2NR1H3
SCHEMBL4795293 0.87 NR1H2 (0.57) NR1H2NR1H3
SCHEMBL17220650 0.83 NR1H2 (0.75) NR1H2NR1H3
SCHEMBL14291619 0.81 NR1H2 (0.45) NR1H2NR1H3
SCHEMBL14291966 0.79 NR1H2 (0.53) NR1H2NR1H3
SCHEMBL21566288 0.78 NR1H2 (0.52) NR1H2NR1H3
SCHEMBL6508596 0.78 NR1H2 (0.39) NR1H2NR1H3

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
WO-2008022467-A1 2-SUBSTITUTED AZAIN DOLES AND 2 SUBSTITUTED THIENOPYRROLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2008-02-28 WO disclosed
WO-2008022467-A1 2-SUBSTITUTED AZAIN DOLES AND 2 SUBSTITUTED THIENOPYRROLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2008-02-28 WO disclosed