SCHEMBL4692605

SCHEMBL4692605

Cc1ccc(NC[C@@H](O)[C@@H](N)Cc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
CSNK1E P49674 1/20 0.48
METAP2 P50579 1/20 0.45
METAP1 P53582 1/20 0.45
F2 P00734 2/20 0.45
TACR1 P25103 1/20 0.43
SLC15A1 P46059 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
EPHX1 P07099 1/20 0.42
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
LAP3 P28838 3/20 0.40
ANPEP P15144 1/20 0.40
RNPEP Q9H4A4 1/20 0.40
DNPEP Q9ULA0 1/20 0.40
SLC6A2 P23975 2/20 0.40
TAAR1 Q96RJ0 2/20 0.40
MAOA P21397 1/20 0.40
SLC6A4 P31645 1/20 0.40

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
SCHEMBL4689485 0.89 CSNK1E (0.50) HTTCSNK1EF2SLC15A1EPHX1
SCHEMBL4694780 0.85 CSNK1E (0.44) HTTCSNK1EF2SLC15A1NPSR1
SCHEMBL4695052 0.85 ALDH1A1 (0.45) HTTCSNK1EF2TACR1NPSR1
SCHEMBL4695907 0.85 F2 (0.47) HTTCSNK1EF2MAPK1ALDH1A1
SCHEMBL4692213 0.85 CSNK1E (0.45) CSNK1EF2SLC15A1MAPK1EPHX1
SCHEMBL8130009 0.84 HTT (0.56) HTTTACR1EPHX1ANPEPSLC6A2
SCHEMBL3349267 0.81 BCHE (0.53) CSNK1EF2ALDH1A1ANPEPCYP1A2
SCHEMBL23092416 0.81 SLC6A4 (0.52) CSNK1EF2SLC15A1EPHX1MAOA
SCHEMBL23093131 0.81 SLC6A4 (0.52) CSNK1EF2SLC15A1EPHX1MAOA
SCHEMBL23092415 0.81 SLC6A4 (0.52) CSNK1EF2SLC15A1EPHX1MAOA

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