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SCHEMBL7336153

SCHEMBL7336153

O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccc(OCCN2CCOCC2)cc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ VIPR2 P41587 15/20 0.51
▸ MMP9 P14780 3/20 0.45
▸ MMP1 P03956 2/20 0.45
▸ MMP2 P08253 2/20 0.45
▸ MMP8 P22894 2/20 0.45

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
SCHEMBL7336157 1.00 VIPR2 (0.51) VIPR2MMP9MMP1MMP2MMP8
SCHEMBL7336151 1.00 VIPR2 (0.51) VIPR2MMP9MMP1MMP2MMP8
SCHEMBL7336378 0.93 VIPR2 (0.52) VIPR2MMP9MMP1MMP2MMP8
SCHEMBL7336370 0.93 VIPR2 (0.52) VIPR2MMP9MMP1MMP2MMP8
SCHEMBL7336375 0.93 VIPR2 (0.52) VIPR2MMP9MMP1MMP2MMP8
SCHEMBL7330072 0.91 VIPR2 (0.49) VIPR2MMP9MMP1MMP2MMP8
SCHEMBL7330062 0.91 VIPR2 (0.49) VIPR2MMP9MMP1MMP2MMP8
SCHEMBL7331464 0.91 VIPR2 (0.49) VIPR2MMP9MMP1MMP2MMP8
SCHEMBL7329273 0.91 VIPR2 (0.51) VIPR2MMP9MMP1MMP2MMP8
SCHEMBL7330068 0.91 VIPR2 (0.49) VIPR2MMP9MMP1MMP2MMP8

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