SCHEMBL4692382

SCHEMBL4692382

N[C@@H](Cc1ccccc1)[C@H](O)CNC1C2CC3CC(C2)CC1C3

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.43
F2 P00734 2/20 0.42
CSNK1E P49674 1/20 0.42
EPHX1 P07099 1/20 0.39
CXCR3 P49682 1/20 0.39
HTR1A P08908 1/20 0.38
HSD11B1 P28845 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MMP2 P08253 1/20 0.37
SLC15A1 P46059 1/20 0.37

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
Hydrochloric Acid SCHEMBL5223403 0.99 EPHX2 (0.42) EPHX2F2CSNK1EEPHX1CXCR3
SCHEMBL4749760 0.81 HPGD (0.41) EPHX2F2CSNK1EEPHX1SMN1; SMN2
SCHEMBL4749765 0.81 HPGD (0.41) EPHX2F2CSNK1EEPHX1SMN1; SMN2
Hydrochloric Acid SCHEMBL5222193 0.80 HPGD (0.40) EPHX2F2CSNK1EEPHX1SMN1; SMN2
SCHEMBL5805296 0.79 GRIN2B (0.48) F2CSNK1EEPHX1
SCHEMBL14253003 0.79 GRIN2B (0.48) F2CSNK1EEPHX1
SCHEMBL4047960 0.79 GRIN2B (0.48) F2CSNK1EEPHX1
Hydrochloric Acid SCHEMBL6111346 0.77 GRIN2B (0.47) F2CSNK1EEPHX1
SCHEMBL5930121 0.76 ANPEP (0.52) F2CSNK1EEPHX1
SCHEMBL4689948 0.76 F2 (0.47) F2CSNK1EEPHX1MMP2SLC15A1

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