SCHEMBL4747299

SCHEMBL4747299

CCc1nc(C)cc2ccn(CC)c(=O)c12

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 15/20 0.38
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PKM P14618 2/20 0.33
MEN1 O00255 1/20 0.33
ABCC4 O15439 1/20 0.33
PTGS1 P23219 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4750004 0.84 GRM2 (0.39) GRM2KDM4EALDH1A1MAPK1PKM
SCHEMBL4747263 0.79 GRM2 (0.36) GRM2KDM4EALDH1A1MEN1KMT2A
SCHEMBL5815996 0.78 ALDH1A1 (0.37) GRM2LMNAKDM4EALDH1A1HPGD
SCHEMBL4747767 0.77 GRM2 (0.37) GRM2
SCHEMBL4747715 0.75 PDE2A (0.37) GRM2ALDH1A1
SCHEMBL4750623 0.75 GRM2 (0.40) GRM2LMNAKDM4EALDH1A1HPGD
SCHEMBL4750217 0.74 PDE2A (0.37) GRM2ALDH1A1
SCHEMBL4750023 0.73 HSF1 (0.41) GRM2LMNAKDM4EALDH1A1HPGD
SCHEMBL10232910 0.73 KDM4E (0.41) GRM2KDM4EALDH1A1MAPK1PKM
SCHEMBL1159653 0.72 GRM2 (0.44) GRM2

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
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-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