SCHEMBL4720022

SCHEMBL4720022

CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])c(-n3nc(-c4ccccc4)c4ccccc4c3=O)c2)CC1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.68
HTT P42858 2/20 0.68
HTR6 P50406 1/20 0.68
LMNA P02545 2/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
NPSR1 Q6W5P4 6/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPK1 P28482 1/20 0.55
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
GAA P10253 1/20 0.54
POLB P06746 1/20 0.53
CTSB P07858 1/20 0.52
LGMN Q99538 2/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL4722514 0.88 MAPT (0.74) MAPTHTTHTR6LMNAMEN1
SCHEMBL4721650 0.85 MAPT (0.76) MAPTHTTHTR6LMNAMEN1
SCHEMBL4724178 0.84 MAPT (0.73) MAPTHTTHTR6LMNAMEN1
SCHEMBL4719534 0.84 MAPT (0.75) MAPTHTTHTR6LMNAMEN1
SCHEMBL4721828 0.84 MAPT (0.72) MAPTHTTHTR6LMNAMEN1
SCHEMBL4721404 0.82 MAPT (0.75) MAPTHTTHTR6LMNAMEN1
SCHEMBL4723117 0.82 MAPT (0.83) MAPTHTTHTR6LMNAMEN1
SCHEMBL4719602 0.81 MAPT (0.68) MAPTHTTHTR6LMNAMEN1
SCHEMBL2481272 0.81 MAPT (1.00) MAPTHTTHTR6LMNAMEN1
SCHEMBL4723139 0.81 MAPT (0.82) MAPTHTTHTR6LMNAMEN1

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed