SCHEMBL4747717

SCHEMBL4747717

CCc1cc2ccn(CC)c(=O)c2c(N2CCCCC2)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 7/20 0.36
ALDH1A1 P00352 7/20 0.34
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPY5R Q15761 1/20 0.32
SYK P43405 1/20 0.32
GAA P10253 1/20 0.32
XBP1 P17861 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL4747891 0.86 SYK (0.39) GRM2ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL5819969 0.83 DRD2 (0.37) GRM2ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL5816427 0.83 GRM2 (0.35) GRM2ALDH1A1KDM4EMAPTHTT
SCHEMBL4747249 0.76 JAK2 (0.43) ALDH1A1KDM4ESMN1; SMN2MAPTHTT
SCHEMBL4750623 0.73 GRM2 (0.40) GRM2ALDH1A1KDM4ELMNATSHR
SCHEMBL5814919 0.71 KDM5A (0.33) GRM2ALDH1A1KDM4EMAPTHTT
SCHEMBL4788702 0.69 GRM2 (0.36) GRM2KDM4EMAPTTSHRGAA
SCHEMBL4747299 0.66 GRM2 (0.38) GRM2ALDH1A1KDM4ELMNAMAPK1
SCHEMBL5820088 0.66 SYK (0.39) ALDH1A1KDM4EMAPTHTTTSHR
SCHEMBL5813982 0.66 SYK (0.39) GRM2ALDH1A1KDM4EMAPTHTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008123755-A1 A PHARMACEUTICAL COMPOSITIONS CONTAINING LACTAM TYPE PYRIDINE DERIVATIVES AS AN EFFECTIVE INGREDIENT FOR THE PREVENTION AND TREATMENT OF ISCHEMIA SK CHEMICALS CO., LTD. (KR) 2008-10-16 WO claimed
WO-2006112666-A1 PYRIDINE DERIVATIVES, METHODS OF THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SK CHEMICALS CO., LTD. (KR) 2006-10-26 WO claimed
WO-2008123755-A1 A PHARMACEUTICAL COMPOSITIONS CONTAINING LACTAM TYPE PYRIDINE DERIVATIVES AS AN EFFECTIVE INGREDIENT FOR THE PREVENTION AND TREATMENT OF ISCHEMIA SK CHEMICALS CO., LTD. (KR) 2008-10-16 WO disclosed
WO-2006112666-A1 PYRIDINE DERIVATIVES, METHODS OF THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SK CHEMICALS CO., LTD. (KR) 2006-10-26 WO disclosed