SCHEMBL8858882

SCHEMBL8858882

CCOC(=O)[C@@H]1CCCN2CCc3c([nH]c4ccc(Cl)cc34)[C@H]12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
LMNA P02545 3/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
KDM4E B2RXH2 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
ALOX15 P16050 2/20 0.50
TP53 P04637 1/20 0.50
KIF11 P52732 2/20 0.49
NPSR1 Q6W5P4 3/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
SIRT1 Q96EB6 9/20 0.48
SIRT2 Q8IXJ6 3/20 0.47
SIRT3 Q9NTG7 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 2/20 0.46
MAPK1 P28482 2/20 0.45
HPGD P15428 1/20 0.44

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
SCHEMBL8858885 1.00 MAPT (0.64) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL8858878 1.00 MAPT (0.64) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL8858868 1.00 MAPT (0.64) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL8858890 1.00 MAPT (0.64) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL8543514 0.85 MAPKAPK2 (0.54) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL8545321 0.85 MAPKAPK2 (0.54) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL3575730 0.85 MAPKAPK2 (0.54) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL8545315 0.85 MAPKAPK2 (0.54) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL8543519 0.85 MAPKAPK2 (0.54) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL31612407 0.79 MEN1 (1.00) MAPTLMNAMEN1KMT2AKDM4E

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-5622957-A INDUCERS OF TYROSINE HYDROXYLASE; TREATMENT OF DEPRESSION AND ANXIETY ADIR ET COMPAGNIE (FR) 1997-04-22 US disclosed
US-5602131-A EburnanE analogues ADIR ET COMPAGNIE (FR) 1997-02-11 US disclosed