SCHEMBL7093635

SCHEMBL7093635

CCCC[C@]1(CC)CN(c2ccccc2)c2cc(Br)c(OCC(=O)N[C@@H](C(=O)OC)c3ccccc3)cc2S(=O)(=O)C1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.47
SLC10A2 Q12908 18/20 0.36

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
SCHEMBL5223216 1.00 NR1H4 (0.47) NR1H4SLC10A2
SCHEMBL5223220 1.00 NR1H4 (0.47) NR1H4SLC10A2
SCHEMBL3808828 1.00 NR1H4 (0.47) NR1H4SLC10A2
SCHEMBL14559720 0.97 NR1H4 (0.47) NR1H4SLC10A2
SCHEMBL14559717 0.97 NR1H4 (0.47) NR1H4SLC10A2
SCHEMBL5227194 0.95 NR1H4 (0.48) NR1H4SLC10A2
SCHEMBL3811073 0.95 NR1H4 (0.48) NR1H4SLC10A2
SCHEMBL5227198 0.95 NR1H4 (0.48) NR1H4SLC10A2
SCHEMBL14559711 0.93 NR1H4 (0.53) NR1H4SLC10A2
SCHEMBL14559718 0.92 NR1H4 (0.47) NR1H4SLC10A2

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-1345918-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2003-09-24 EP disclosed
WO-2002050051-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2002-06-27 WO disclosed