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SCHEMBL7329273

SCHEMBL7329273

C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(OCCN2CCOCC2)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ VIPR2 P41587 16/20 0.51
▸ MMP1 P03956 1/20 0.46
▸ MMP2 P08253 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ MMP8 P22894 1/20 0.46

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
SCHEMBL7336375 0.92 VIPR2 (0.52) VIPR2MMP1MMP2MMP9MMP8
SCHEMBL7336378 0.92 VIPR2 (0.52) VIPR2MMP1MMP2MMP9MMP8
SCHEMBL7336370 0.92 VIPR2 (0.52) VIPR2MMP1MMP2MMP9MMP8
SCHEMBL7329294 0.92 VIPR2 (0.51) VIPR2MMP1MMP2MMP9MMP8
SCHEMBL7329296 0.92 VIPR2 (0.51) VIPR2MMP1MMP2MMP9MMP8
SCHEMBL7329897 0.92 VIPR2 (0.51) VIPR2MMP1MMP2MMP9MMP8
SCHEMBL7336157 0.91 VIPR2 (0.51) VIPR2MMP1MMP2MMP9MMP8
SCHEMBL7336153 0.91 VIPR2 (0.51) VIPR2MMP1MMP2MMP9MMP8
SCHEMBL7336151 0.91 VIPR2 (0.51) VIPR2MMP1MMP2MMP9MMP8
SCHEMBL7330827 0.90 VIPR2 (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0434365-A2 HIV protease inhibitors useful for the treatment of aids MERCK & CO. INC. (US) 1991-06-26 — — EP claimed
EP-0434365-A2 HIV protease inhibitors useful for the treatment of aids MERCK & CO. INC. (US) 1991-06-26 — — EP disclosed