SCHEMBL9739604

SCHEMBL9739604

O=C(C[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)c1ccco1)NCCCn1ccnc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.51
MMP9 P14780 2/20 0.51
MMP8 P22894 2/20 0.51
IDE P14735 1/20 0.45
REN P00797 16/20 0.44
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL9739605 1.00 MMP2 (0.51) MMP2MMP9MMP8IDEREN
SCHEMBL9741586 0.90 MMP2 (0.51) MMP2MMP9MMP8IDEREN
SCHEMBL9741583 0.90 MMP2 (0.51) MMP2MMP9MMP8IDEREN
SCHEMBL9740882 0.81 MMP2 (0.54) MMP2MMP9MMP8IDEREN
SCHEMBL9740887 0.81 MMP2 (0.54) MMP2MMP9MMP8IDEREN
SCHEMBL9740313 0.77 REN (0.41) MMP2MMP9MMP8REN
SCHEMBL9740310 0.77 REN (0.41) MMP2MMP9MMP8REN
SCHEMBL9740864 0.76 MMP2 (0.55) MMP2MMP9MMP8REN
SCHEMBL9740857 0.76 MMP2 (0.55) MMP2MMP9MMP8REN
SCHEMBL9740696 0.75 REN (0.38) REN

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5104869-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1992-04-14 US claimed