SCHEMBL3657902

SCHEMBL3657902

CC(C)(C)OC(=O)N1CC(Oc2ccc(Cl)c(C(=O)NC(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)c2)C1.CS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(OC4CNC4)ccc3Cl)sc2c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 16/20 0.56
POLB P06746 2/20 0.46
CHRNA4 P43681 1/20 0.46
SLC6A3 Q01959 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HCAR1 Q9BXC0 1/20 0.45
CLK1 P49759 1/20 0.44

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
SCHEMBL1787671 0.96 GHSR (0.60) GHSRPOLBCHRNA4SLC6A3MEN1
SCHEMBL1788698 0.91 GHSR (0.57) GHSRPOLBCHRNA4SLC6A3MEN1
SCHEMBL1788643 0.91 GHSR (0.66) GHSRPOLBCHRNA4SLC6A3MEN1
SCHEMBL1787524 0.90 GHSR (0.58) GHSRPOLBCHRNA4SLC6A3MEN1
SCHEMBL2679282 0.87 GHSR (0.64) GHSRCHRNA4SLC6A3MEN1KMT2A
SCHEMBL1785514 0.85 GHSR (0.62) GHSRPOLBCHRNA4SLC6A3MEN1
SCHEMBL1787721 0.85 GHSR (0.66) GHSRCHRNA4SLC6A3MEN1KMT2A
SCHEMBL1785425 0.84 GHSR (0.64) GHSRPOLBCHRNA4SLC6A3MEN1
SCHEMBL1787370 0.83 GHSR (0.60) GHSRCHRNA4SLC6A3MEN1KMT2A
SCHEMBL1785399 0.83 GHSR (0.67) GHSRCHRNA4SLC6A3MEN1KMT2A

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-2205576-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS AstraZeneca AB (SE) 2010-07-14 EP claimed
WO-2009047558-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2009-04-16 WO claimed