SCHEMBL5221659

SCHEMBL5221659

N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1c2ccccc2C[C@H]1O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
VIPR2 P41587 17/20 0.43
MMP9 P14780 2/20 0.43
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP8 P22894 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
SCHEMBL3349998 1.00 VIPR2 (0.43) VIPR2MMP9MMP1MMP2MMP8
SCHEMBL7612571 0.81 VIPR2 (0.47) VIPR2MMP9MMP1MMP2MMP8
SCHEMBL7612578 0.81 VIPR2 (0.47) VIPR2MMP9MMP1MMP2MMP8
SCHEMBL9565572 0.79 VIPR2 (0.60) VIPR2MMP9MMP1MMP2MMP8
SCHEMBL9565577 0.79 VIPR2 (0.60) VIPR2MMP9MMP1MMP2MMP8
SCHEMBL9565574 0.79 VIPR2 (0.60) VIPR2MMP9MMP1MMP2MMP8
SCHEMBL5394038 0.78 KLK5 (0.51) VIPR2
SCHEMBL5394031 0.78 KLK5 (0.51) VIPR2
SCHEMBL5379247 0.78 KLK5 (0.51) VIPR2
SCHEMBL5379243 0.78 KLK5 (0.51) VIPR2

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-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed