SCHEMBL471722

SCHEMBL471722

C[C@H]1OC(=O)[C@@H]2CC3CCCC[C@H]3[C@H](C(=O)N(c3ccccc3)c3ccccc3)[C@H]12

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2R P25116 19/20 0.51
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44

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
SCHEMBL13965522 0.88 F2R (0.39) F2R
SCHEMBL13965525 0.88 F2R (0.39) F2R
SCHEMBL13965524 0.88 F2R (0.39) F2R
SCHEMBL13965521 0.88 F2R (0.39) F2R
SCHEMBL12083875 0.86 F2R (0.43) F2R
SCHEMBL12083872 0.86 F2R (0.43) F2R
SCHEMBL12083790 0.86 F2R (0.43) F2R
SCHEMBL14203714 0.86 F2R (0.43) F2R
SCHEMBL13337526 0.86 F2R (0.43) F2R
SCHEMBL12083672 0.86 F2R (0.43) F2R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2399912-B1 An exo-selective synthesis of himbacine analogs MERCK SHARP & DOHME (US) 2015-02-25 EP disclosed
EP-2399912-A2 An exo-selective synthesis of himbacine analogs Schering Corporation (US) 2011-12-28 EP disclosed