SCHEMBL3072937

SCHEMBL3072937

COCCCC(OC1CC(c2ccc(OCCCOCc3ccccc3OC)cc2)CCN1C(=O)OC(C)(C)C)c1ccc2cn[nH]c2c1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 17/20 0.36
CHRM5 P08912 1/20 0.34
CYP3A4 P08684 2/20 0.34
PDE4B Q07343 1/20 0.33

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
SCHEMBL3417113 0.86 REN (0.41) RENCYP3A4PDE4B
SCHEMBL3080328 0.80 REN (0.43) RENCYP3A4
SCHEMBL3259291 0.76 REN (0.52) RENCYP3A4PDE4B
SCHEMBL3072934 0.76 REN (0.42) RENCYP3A4
SCHEMBL3072786 0.76 REN (0.42) REN
SCHEMBL3263399 0.75 REN (0.38) RENCYP3A4PDE4B
SCHEMBL5561759 0.72 REN (0.53) RENCYP3A4
SCHEMBL3416611 0.72 REN (0.43) RENCYP3A4
SCHEMBL7509751 0.72 REN (0.38) REN
SCHEMBL3076941 0.70 REN (0.39) RENCYP3A4PDE4B

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
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed