SCHEMBL7805709

SCHEMBL7805709

CC(C)C[C@@H](C(=O)NN)[C@H](C(=O)NOC1CCCCO1)C(CCC1CCCCC1)(Cc1ccccc1)C(=O)Cc1ncc[nH]1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 1/20 0.34
MMP3 P08254 1/20 0.31
REN P00797 6/20 0.31
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31
NCSTN Q92542 2/20 0.31
APH1A Q96BI3 2/20 0.31
PSENEN Q9NZ42 2/20 0.31

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
SCHEMBL7812670 0.95 GPR88 (0.32) GPR88MMP3
SCHEMBL7812254 0.89 PSEN1 (0.35) GPR88MMP3RENPSEN1PSEN2
SCHEMBL6981703 0.85 MMP3 (0.33) MMP3RENPSEN1PSEN2APH1B
SCHEMBL6981386 0.83 REN (0.38) MMP3REN
SCHEMBL6986123 0.81 CTSS (0.36) MMP3REN
SCHEMBL7805463 0.80 MEN1 (0.30) MMP3
SCHEMBL6982283 0.77 REN (0.36) MMP3REN
SCHEMBL6983113 0.75 CYP1A2 (0.36) REN
SCHEMBL6982709 0.75 CTSK (0.37) MMP3
SCHEMBL8097980 0.74 GPR88 (0.31) GPR88

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-1089964-A1 HYDRAZINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2001-04-11 EP disclosed
WO-2000000465-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-01-06 WO disclosed