SCHEMBL4598273

SCHEMBL4598273

Brc1ccc(COCC2CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
NAAA Q02083 1/20 0.40

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
SCHEMBL2092716 0.88 IDO1 (0.40) IDO1NAAA
SCHEMBL11248120 0.82 IDO1 (0.45) IDO1
SCHEMBL1421994 0.81 ADRB1 (0.46)
SCHEMBL14614577 0.80 NAAA (0.40) NAAA
SCHEMBL744401 0.80 CYP3A4 (0.47) IDO1
SCHEMBL30963308 0.80 NAAA (0.40) NAAA
SCHEMBL17019782 0.79 TSHR (0.58) NAAA
SCHEMBL1928095 0.79 TSHR (0.58) NAAA
Iodide SCHEMBL3738973 0.78 CYP3A4 (0.45) IDO1
SCHEMBL649020 0.78 IDO1 (0.64) IDO1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1908471-A1 Tetrahydropyridines as renin inhibitors Speedel Experimenta AG (CH) 2008-04-09 EP disclosed