SCHEMBL6571046

SCHEMBL6571046

CC1(c2ccc3c(c2)OCO3)CC(Nc2ncccc2[N+](=O)[O-])CO1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
NPC1 O15118 7/20 0.37
RAB9A P51151 6/20 0.37
CFTR P13569 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
GLO1 Q04760 1/20 0.36
MCHR1 Q99705 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL6152524 0.82 CRHBP (0.41) L3MBTL1CRHBPCRHR2NPC1RAB9A
SCHEMBL11554855 0.72 MAPT (0.55) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL929085 0.69 MAPT (0.50) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL11557189 0.69 MEN1 (0.53) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL15228241 0.68 LMNA (0.44) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL15953915 0.67 MEN1 (0.52) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL5773361 0.66 MEN1 (0.55) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL15228242 0.65 LMNA (0.46) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL6153096 0.65 TRPV1 (0.39) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL6889512 0.64 HTR3A (0.45) L3MBTL1NPC1RAB9AMEN1KMT2A

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
EP-1406610-A1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2004-04-14 EP claimed
WO-2003004016-A1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2003-01-16 WO claimed