SCHEMBL12848618

SCHEMBL12848618

COC1(OC)C[C@H](C(O)Nc2ccc(-n3ccccc3=O)cc2)N(C(=O)Nc2ccc(Cl)cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.53

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
SCHEMBL77438 0.84 F10 (0.66) F10
SCHEMBL77439 0.84 F10 (0.66) F10
SCHEMBL76334 0.76 F10 (0.63) F10
SCHEMBL76335 0.76 F10 (0.63) F10
SCHEMBL77490 0.72 F10 (0.63) F10
SCHEMBL77489 0.72 F10 (0.63) F10
SCHEMBL14224849 0.71 F10 (0.51) F10
SCHEMBL76485 0.70 F10 (0.81) F10
SCHEMBL76481 0.69 F10 (0.62) F10
SCHEMBL4449707 0.69 F10 (0.59) F10

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-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed