SCHEMBL3377253

SCHEMBL3377253

Cc1occc1OC(=O)N[C@@H]1CCC[C@](O)(C#Cc2cccc(Cl)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 20/20 0.46

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
SCHEMBL3377773 1.00 GRM5 (0.46) GRM5
SCHEMBL3379028 0.89 GRM5 (0.46) GRM5
SCHEMBL3376114 0.86 GRM5 (0.44) GRM5
SCHEMBL3374718 0.85 GRM5 (0.46) GRM5
SCHEMBL990881 0.85 LMNA (0.50) GRM5
SCHEMBL990361 0.85 LMNA (0.50) GRM5
SCHEMBL3374694 0.85 GRM5 (0.46) GRM5
SCHEMBL3378272 0.83 GRM5 (0.42) GRM5
SCHEMBL3374407 0.82 GRM5 (0.45) GRM5
SCHEMBL3378009 0.82 GRM5 (0.45) GRM5

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
EP-1877365-B1 ACETYLENE DERIVATIVES NOVARTIS AG (CH) 2010-11-10 EP claimed