SCHEMBL7108477

SCHEMBL7108477

CC(C)CCc1cc(N)ccc1S(=O)(=O)NC[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
VIPR2 P41587 20/20 0.65

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
SCHEMBL7111488 0.90 VIPR2 (0.74) VIPR2
SCHEMBL7111492 0.83 VIPR2 (0.74) VIPR2
SCHEMBL17038188 0.83 VIPR2 (0.85) VIPR2
SCHEMBL17038200 0.82 VIPR2 (0.79) VIPR2
SCHEMBL17038197 0.82 VIPR2 (0.79) VIPR2
SCHEMBL15714596 0.81 VIPR2 (0.88) VIPR2
SCHEMBL17038198 0.80 VIPR2 (0.79) VIPR2
SCHEMBL17038204 0.80 VIPR2 (0.75) VIPR2
SCHEMBL17038205 0.80 VIPR2 (0.81) VIPR2
SCHEMBL17038199 0.80 VIPR2 (0.74) 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 3 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
WO-1995035286-A1 NEW HIV PROTEASE INHIBITORS MERCK & CO., INC. (US) 1995-12-28 WO disclosed
US-5476874-A Oligopeptide analogs containing sulfonamide, urea, carbamate, MERCK & CO., INC. (US) 1995-12-19 US disclosed