SCHEMBL3253530

SCHEMBL3253530

COC(=O)Oc1ccc2nccc(OC[C@H]3CC[C@H](C(=O)Nc4ccc5c(c4)OCCO5)CC3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.52
KDM4E B2RXH2 6/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HTT P42858 1/20 0.43
CLK1 P49759 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HPGD P15428 1/20 0.42
POLB P06746 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 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
SCHEMBL1147533 0.93 KCNH2 (0.60) KCNH2KDM4EL3MBTL1MAPTSMN1; SMN2
SCHEMBL1147941 0.87 MAPT (0.51) KCNH2KDM4EL3MBTL1MAPTSMN1; SMN2
SCHEMBL1147940 0.87 MAPT (0.51) KCNH2KDM4EL3MBTL1MAPTSMN1; SMN2
SCHEMBL1148133 0.85 KDM4E (0.56) KDM4EL3MBTL1MAPTSMN1; SMN2ALDH1A1
SCHEMBL1147868 0.84 KDM4E (0.49) KCNH2KDM4EL3MBTL1MAPTSMN1; SMN2
SCHEMBL3244126 0.81 KCNH2 (0.49) KCNH2KDM4EMAPTSMN1; SMN2MEN1
SCHEMBL1147192 0.81 KCNH2 (0.54) KCNH2KDM4EL3MBTL1MAPTSMN1; SMN2
SCHEMBL1147454 0.74 KCNH2 (0.68) KCNH2KDM4EL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL1148179 0.74 KCNH2 (0.68) KCNH2KDM4EL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL1148100 0.74 KCNH2 (0.68) KCNH2KDM4EL3MBTL1SMN1; SMN2ALDH1A1

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-2001478-B1 CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-06-02 EP claimed