SCHEMBL4714732

SCHEMBL4714732

Cc1nc(C#Cc2cccc(F)c2)ccc1C(=O)N1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 14/20 0.47
HRH4 Q9H3N8 2/20 0.39
CYP3A4 P08684 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
SCHEMBL4712862 0.83 TP53 (0.46) GRM5CYP3A4
SCHEMBL4715310 0.82 HSD11B1 (0.56)
SCHEMBL4713917 0.80 GRM5 (0.41) GRM5CYP3A4
SCHEMBL4715216 0.80 GRM5 (0.51) GRM5
SCHEMBL7262698 0.79 GRM5 (0.47) GRM5
SCHEMBL30478166 0.76 RXFP1 (0.43) HRH4
SCHEMBL4711712 0.75 TSHR (0.50) GRM5CYP3A4
Hydrochloric Acid SCHEMBL20524495 0.69 PARP1 (0.48) HRH4
SCHEMBL4710584 0.69 GRM5 (0.52) GRM5
SCHEMBL4712558 0.69 GRM5 (0.65) 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-0998459-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2008-04-23 EP disclosed