SCHEMBL3374841

SCHEMBL3374841

O=C(N[C@H]1CCC[C@@](O)(C#Cc2cccc(Cl)c2)C1)Oc1ccnnc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.44
FAAH O00519 1/20 0.35
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL990851 0.85 GRM5 (0.46) GRM5RAB9A
SCHEMBL3374691 0.83 GRM5 (0.45) GRM5FAAHALDH1A1RAB9AEPHX2
SCHEMBL3378009 0.83 GRM5 (0.45) GRM5FAAHALDH1A1RAB9AEPHX2
SCHEMBL3374407 0.83 GRM5 (0.45) GRM5FAAHALDH1A1RAB9AEPHX2
SCHEMBL3374797 0.82 GRM5 (0.44) GRM5RAB9AEPHX2
SCHEMBL3376064 0.82 GRM5 (0.44) GRM5RAB9AEPHX2
SCHEMBL3377251 0.82 ALDH1A1 (0.43) GRM5FAAHALDH1A1RAB9A
SCHEMBL3373475 0.82 GRM5 (0.44) GRM5RAB9AEPHX2
SCHEMBL3378683 0.82 GRM5 (0.44) GRM5RAB9AEPHX2
SCHEMBL3412769 0.82 GRM5 (0.46) 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