SCHEMBL7110730

SCHEMBL7110730

CC(C)(C)CNC[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
VIPR2 P41587 19/20 0.66
MMP9 P14780 1/20 0.54

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
SCHEMBL7300250 0.87 VIPR2 (0.70) VIPR2MMP9
SCHEMBL7300253 0.87 VIPR2 (0.70) VIPR2MMP9
SCHEMBL6466122 0.86 VIPR2 (0.69) VIPR2MMP9
Hydrochloric Acid SCHEMBL7108282 0.85 VIPR2 (0.65) VIPR2MMP9
SCHEMBL17038236 0.85 VIPR2 (0.69) VIPR2MMP9
SCHEMBL6419552 0.85 VIPR2 (0.63) VIPR2
SCHEMBL17038205 0.84 VIPR2 (0.81) VIPR2
SCHEMBL15713420 0.83 VIPR2 (0.66) VIPR2MMP9
SCHEMBL15714613 0.83 VIPR2 (0.66) VIPR2MMP9
SCHEMBL17038231 0.83 VIPR2 (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0766674-B1 NEW HIV PROTEASE INHIBITORS MERCK & CO INC (US) 2003-10-15 EP disclosed
US-5476874-A Oligopeptide analogs containing sulfonamide, urea, carbamate, MERCK & CO., INC. (US) 1995-12-19 US disclosed