SCHEMBL4713849

SCHEMBL4713849

Cc1ccc(OCCCO)c(C#Cc2cccc(F)c2)n1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.57
SLC6A2 P23975 1/20 0.50
ABL1 P00519 1/20 0.40

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
SCHEMBL4713004 0.84 GRM5 (0.50) GRM5SLC6A2
SCHEMBL4713235 0.82 GRM5 (0.68) GRM5SLC6A2
SCHEMBL4710329 0.74 CYP1A2 (0.46) GRM5ABL1
SCHEMBL4713011 0.74 GRM5 (0.49) GRM5ABL1
SCHEMBL3877004 0.73 GRM5 (1.00) GRM5SLC6A2ABL1
SCHEMBL4710981 0.73 GRM5 (0.47) GRM5ABL1
SCHEMBL4712681 0.73 GRM5 (0.42) GRM5
SCHEMBL4712038 0.73 GRM5 (0.49) GRM5
Hydrochloric Acid SCHEMBL4654166 0.72 GRM5 (0.97) GRM5SLC6A2ABL1
SCHEMBL4712557 0.72 GRM5 (0.57) GRM5SLC6A2

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-0998459-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2008-04-23 EP claimed
EP-0998459-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2008-04-23 EP disclosed