SCHEMBL7951082

SCHEMBL7951082

COCCCCn1c(C(=O)N(CC(C)C)[C@@H]2CNC[C@H](C(C)=O)C2)nc2ccccc21

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.80

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
SCHEMBL13311830 1.00 REN (0.80) REN
Hydrochloric Acid SCHEMBL2216869 0.99 REN (0.80) REN
SCHEMBL13311675 0.94 REN (0.80) REN
SCHEMBL12440931 0.94 REN (0.80) REN
SCHEMBL12440903 0.93 REN (0.79) REN
SCHEMBL13311674 0.93 REN (0.79) REN
SCHEMBL2220728 0.93 REN (0.79) REN
Hydrochloric Acid SCHEMBL2217295 0.93 REN (0.80) REN
SCHEMBL7950223 0.93 REN (0.79) REN
Hydrochloric Acid SCHEMBL2218666 0.92 REN (0.79) REN

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
WO-2009154300-A2 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-23 WO disclosed