SCHEMBL7108294

SCHEMBL7108294

CC(C)CC(C(=O)NC[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)C1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
VIPR2 P41587 19/20 0.61
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52

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
SCHEMBL17038236 0.88 VIPR2 (0.69) VIPR2MMP9
SCHEMBL15713788 0.84 VIPR2 (0.62) VIPR2MMP9
SCHEMBL15713510 0.84 VIPR2 (0.68) VIPR2MMP9
SCHEMBL15713508 0.83 VIPR2 (0.65) VIPR2MMP9
SCHEMBL7300250 0.83 VIPR2 (0.70) VIPR2MMP1MMP2MMP9MMP8
SCHEMBL7300253 0.83 VIPR2 (0.70) VIPR2MMP1MMP2MMP9MMP8
SCHEMBL7111515 0.82 VIPR2 (0.62) VIPR2
SCHEMBL6466122 0.82 VIPR2 (0.69) VIPR2MMP1MMP2MMP9MMP8
SCHEMBL17038237 0.82 VIPR2 (0.67) VIPR2MMP9
Hydrochloric Acid SCHEMBL7108282 0.81 VIPR2 (0.65) VIPR2MMP1MMP2MMP9MMP8

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 5 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
EP-0766674-A4 NEW HIV PROTEASE INHIBITORS MERCK & CO INC (US) 1997-09-03 EP disclosed
EP-0766674-A1 NEW HIV PROTEASE INHIBITORS MERCK & CO. INC. (US) 1997-04-09 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