SCHEMBL4695898

SCHEMBL4695898

COc1ccccc1NC[C@@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.53
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CSNK1E P49674 1/20 0.45
BCHE P06276 3/20 0.45
GBA1 P04062 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
ALOX12 P18054 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
LTA4H P09960 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
SCHEMBL4688827 0.90 F2 (0.52) F2MAPTMEN1KMT2ATDP1
SCHEMBL4692657 0.82 CSNK1E (0.48) F2MAPTCSNK1ELMNASCN4A
SCHEMBL6327499 0.79 MAPT (0.56) MAPTMEN1KMT2ATDP1KDM4E
SCHEMBL5216965 0.79 BCHE (0.69) F2MEN1KMT2ABCHEKDM4E
SCHEMBL4692139 0.79 CSNK1E (0.44) F2MAPTMEN1KMT2ACSNK1E
SCHEMBL4694821 0.79 F2 (0.51) F2MAPTTDP1CSNK1EALDH1A1
SCHEMBL4695907 0.78 F2 (0.47) F2MAPTMEN1KMT2ATDP1
SCHEMBL4689950 0.78 CRHBP (0.49) F2KMT2A
SCHEMBL4044406 0.77 BCHE (0.55) F2KMT2ABCHEKDM4EALDH1A1
SCHEMBL4689485 0.76 CSNK1E (0.50) F2MAPTCSNK1E

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-1692143-B1 TRICYCLIC INDOLE HYDROXYETHYLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2008-11-12 EP disclosed