SCHEMBL9025565

SCHEMBL9025565

COc1ccc(-c2ccc(CN3CCCC3)nc2)cc1C(N)c1occ2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.39
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KCNH2 Q12809 3/20 0.35
SCN9A Q15858 2/20 0.35
ABCB1 P08183 1/20 0.35
ABCC1 P33527 1/20 0.35
PAICS P22234 1/20 0.35
MCHR1 Q99705 1/20 0.35
SRC P12931 1/20 0.35
MELK Q14680 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
DRD2 P14416 2/20 0.34
DRD4 P21917 2/20 0.34
DRD3 P35462 2/20 0.34
CHEK1 O14757 1/20 0.34
ACHE P22303 1/20 0.34
SYK P43405 1/20 0.34

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
SCHEMBL9061947 0.85 S1PR1 (0.42) DRD2DRD4DRD3HTR7
SCHEMBL9025516 0.85 PDE7A (0.37) KDM4EL3MBTL1KCNH2SCN9APAICS
SCHEMBL9220071 0.82 MEN1 (0.44) ACHEHTR7
SCHEMBL9030860 0.82 KDM4E (0.39) KDM4EL3MBTL1ALDH1A1LMNAMAPK1
SCHEMBL9025554 0.78 MAPK14 (0.39) MAPK14KDM4EL3MBTL1KCNH2ABCB1
SCHEMBL9026336 0.78 CYP11B2 (0.47) KDM4EABCB1ALDH1A1MAPK1MAPT
SCHEMBL9032018 0.76 DHFR (0.39) KDM4EABCB1ALDH1A1LMNAMAPT
SCHEMBL9026132 0.76 HRH3 (0.49) KDM4EKCNH2ALDH1A1DRD3MAPT
SCHEMBL9025657 0.75 MAPK14 (0.37) MAPK14KDM4EL3MBTL1KCNH2ABCB1
SCHEMBL9025514 0.75 PDE4A (0.39) KDM4EL3MBTL1ABCB1ALDH1A1LMNA

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-0711290-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1996-05-15 EP disclosed