SCHEMBL1980766

SCHEMBL1980766

CCC[C@@H]1CCNC(=O)c2cc3ccc(C(=O)O)cc3n21

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 19/20 0.48
RPS6KA3 P51812 3/20 0.47

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
SCHEMBL1978177 1.00 RPS6KA2 (0.48) RPS6KA2RPS6KA3
SCHEMBL1979444 0.89 RPS6KA2 (0.46) RPS6KA2RPS6KA3
SCHEMBL1979243 0.83 RPS6KA2 (0.64) RPS6KA2RPS6KA3
SCHEMBL1983815 0.83 RPS6KA2 (0.64) RPS6KA2RPS6KA3
SCHEMBL1978956 0.83 RPS6KA2 (0.64) RPS6KA2RPS6KA3
SCHEMBL1982977 0.76 RPS6KA2 (0.62) RPS6KA2RPS6KA3
SCHEMBL1979365 0.76 RPS6KA2 (0.62) RPS6KA2RPS6KA3
SCHEMBL1987204 0.76 RPS6KA2 (0.62) RPS6KA2RPS6KA3
SCHEMBL1979742 0.74 RPS6KA2 (0.64) RPS6KA2RPS6KA3
SCHEMBL1978815 0.74 RPS6KA2 (0.64) RPS6KA2RPS6KA3

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-2011071716-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-16 WO disclosed