SCHEMBL4715138

SCHEMBL4715138

O=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccc(C#Cc3cccc(F)c3)nc2)CC1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.63
GRM5 P41594 6/20 0.58
MGLL Q99685 1/20 0.54
KDM4E B2RXH2 1/20 0.54
POLB P06746 1/20 0.54
GAA P10253 1/20 0.54

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
SCHEMBL4712675 0.84 HSD11B1 (0.60) HSD11B1MGLLKDM4EPOLBGAA
SCHEMBL4715310 0.83 HSD11B1 (0.56) HSD11B1
SCHEMBL4710380 0.75 GRM5 (0.64) GRM5
SCHEMBL6236172 0.74 HSD11B1 (1.00) HSD11B1MGLLKDM4EPOLBGAA
SCHEMBL6356849 0.73 HSD11B1 (0.69) HSD11B1MGLLKDM4EPOLBGAA
SCHEMBL22874837 0.73 GRM5 (1.00) GRM5
SCHEMBL3640225 0.73 GRM5 (0.74) HSD11B1GRM5MGLL
SCHEMBL6209453 0.73 SLC18A3 (0.75) HSD11B1MGLLKDM4EPOLBGAA
SCHEMBL6210205 0.73 HSD11B1 (0.65) HSD11B1MGLLKDM4EPOLBGAA
SCHEMBL19917537 0.73 HSD11B1 (0.66) HSD11B1MGLLKDM4EPOLBGAA

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