SCHEMBL1148050

SCHEMBL1148050

COc1ccc2nccc([C@@H](O)[C@H](O)[C@H]3CC[C@H](C(=O)Nc4ccc5c(c4)OCCO5)CC3)c2n1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.52
KDM4E B2RXH2 6/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
SLC2A1 P11166 1/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
HPGD P15428 1/20 0.41
LMNA P02545 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
SCHEMBL1147993 0.88 KDM4E (0.45) KCNH2KDM4EL3MBTL1SMN1; SMN2MAPT
SCHEMBL3255856 0.88 KCNH2 (0.47) KCNH2SMN1; SMN2SLC2A1MAPTNPC1
SCHEMBL1147525 0.88 KCNH2 (0.53) KCNH2KDM4EL3MBTL1SMN1; SMN2SLC2A1
SCHEMBL1148151 0.88 KDM4E (0.45) KCNH2KDM4EL3MBTL1SMN1; SMN2MAPT
SCHEMBL1147433 0.85 KCNH2 (0.53) KCNH2KDM4EL3MBTL1SMN1; SMN2MAPT
SCHEMBL1147924 0.82 KDM4E (0.46) KCNH2KDM4EL3MBTL1SMN1; SMN2SLC2A1
SCHEMBL1147536 0.81 KCNH2 (0.53) KCNH2KDM4EL3MBTL1SMN1; SMN2MAPT
SCHEMBL1147478 0.80 KCNH2 (0.54) KCNH2KDM4EL3MBTL1SMN1; SMN2MAPT
SCHEMBL1147955 0.80 TRPV1 (0.43) KCNH2
SCHEMBL3249797 0.79 KCNH2 (0.43) KCNH2SLC2A1

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
US-7888359-B2 Cyclohexyl or piperidinyl carboxamide antibiotic derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2011-02-15 US claimed
US-7888359-B2 Cyclohexyl or piperidinyl carboxamide antibiotic derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2011-02-15 US disclosed