SCHEMBL4712558

SCHEMBL4712558

Cc1cc(C(=O)N2CCOCC2)cc(C#Cc2cccc(F)c2)n1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 14/20 0.65
TRPM8 Q7Z2W7 1/20 0.44
ACACB O00763 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41

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 0.82 HSD11B1 (0.60) KDM4E
SCHEMBL3638832 0.81 GRM5 (0.60) GRM5ACACBKDM4EALDH1A1
SCHEMBL4713781 0.80 GRM5 (0.51) GRM5KDM4EALDH1A1
SCHEMBL22353354 0.75 HPGD (0.56) KDM4EALDH1A1L3MBTL1
SCHEMBL4714004 0.75 GRM5 (0.47) GRM5TRPM8KDM4E
SCHEMBL4711926 0.74 GRM5 (0.45) GRM5
SCHEMBL1658127 0.72 GRM5 (0.59) GRM5TRPM8
SCHEMBL4710819 0.71 GRM5 (0.58) GRM5KDM4EALDH1A1
SCHEMBL20260141 0.70 HPGD (0.58) KDM4EALDH1A1L3MBTL1
SCHEMBL16719440 0.70 ACACB (0.58) GRM5ACACBKDM4EALDH1A1L3MBTL1

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