SCHEMBL5545998

SCHEMBL5545998

ONCc1cccc2[nH]nnc12

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.31
IDO1 P14902 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
SCHEMBL3403842 0.86 MC5R (0.38)
SCHEMBL579870 0.82 NPC1 (0.44)
SCHEMBL656754 0.82 PARP1 (0.36)
SCHEMBL30829735 0.82 PARP1 (0.36)
SCHEMBL14953638 0.80 BCHE (0.42)
SCHEMBL688424 0.80 MTNR1A (0.39)
SCHEMBL29696957 0.80 GPR84 (0.32)
SCHEMBL9186966 0.80
SCHEMBL449004 0.80 GPR84 (0.32)
SCHEMBL2494162 0.79 MAPT (0.38)

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-1830858-A2 3, 6-BICYCLOLIDES Enanta Pharmaceuticals, Inc. (US) 2007-09-12 EP disclosed
WO-2006063039-A2 3, 6-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. (US) 2006-06-15 WO disclosed