SCHEMBL7369459

SCHEMBL7369459

CC(C)(N)C(=O)NC(CCC1CCCCC1)C(=O)[C@@H]1Nc2cccc(S(C)(=O)=O)c2C12CCNCC2

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 2/20 0.33
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
PSMB10 P40306 2/20 0.30
PSMB2 P49721 2/20 0.30

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
SCHEMBL5697839 0.84 GHSR (0.47) GHSR
Hydrochloric Acid SCHEMBL7371113 0.83 GHSR (0.35) GHSR
SCHEMBL7370845 0.80 GHSR (0.37) GHSR
SCHEMBL7371725 0.74 GHSR (0.43) GHSR
SCHEMBL7868472 0.72 GHSR (0.40) GHSRMAPK11MAPK14
SCHEMBL5013587 0.64 GHSR (0.70) GHSR
SCHEMBL5013586 0.64 GHSR (0.70) GHSR
Hydrochloric Acid SCHEMBL7489609 0.63 GHSR (0.69) GHSR
Hydrochloric Acid SCHEMBL7489605 0.63 GHSR (0.69) GHSR
Hydrochloric Acid SCHEMBL9391073 0.61 GHSR (0.48) GHSR

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-1994013696-A1 SPIRO PIPERIDINES AND HOMOLOGS WHICH PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-06-23 WO claimed