SCHEMBL3799474

SCHEMBL3799474

NC(=O)[C@@H]1CCC[C@](O)(C#Cc2cccc(F)c2)C1.O=C(N[C@H]1CCC[C@@](O)(C#Cc2cccc(Cl)c2)C1)c1ccc(F)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 17/20 0.47
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL990824 0.90 GRM5 (0.48) GRM5L3MBTL1NPC1RAB9A
SCHEMBL4655682 0.90 GRM5 (0.48) GRM5L3MBTL1NPC1RAB9A
SCHEMBL992253 0.90 GRM5 (0.48) GRM5L3MBTL1NPC1RAB9A
SCHEMBL4564479 0.90 GRM5 (0.49) GRM5L3MBTL1NPC1RAB9A
SCHEMBL990772 0.87 GRM5 (0.60) GRM5L3MBTL1NPC1RAB9A
SCHEMBL3713489 0.85 GRM5 (0.52) GRM5L3MBTL1NPC1RAB9A
SCHEMBL3800762 0.85 GRM5 (0.52) GRM5L3MBTL1NPC1RAB9A
SCHEMBL3716584 0.84 GRM5 (0.57) GRM5L3MBTL1NPC1RAB9A
SCHEMBL4408007 0.84 GRM5 (0.43) GRM5L3MBTL1NPC1RAB9A
SCHEMBL3433270 0.83 GRM5 (0.55) GRM5L3MBTL1NPC1RAB9A

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-2010000763-A2 COMBINATION PRODUCTS NOVARTIS AG (CH) 2010-01-07 WO disclosed