SCHEMBL4785747

SCHEMBL4785747

Cc1cc(Cl)c(OCCOc2ccc(C3=C(C(=O)N(Cc4cccc(C)c4C)C4CC4)[C@H]4CNCC(C3)N4)cc2)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 1.00
CYP3A4 P08684 2/20 0.59
CTSD P07339 1/20 0.57
CTSE P14091 1/20 0.57

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
SCHEMBL1986191 1.00 REN (1.00) RENCYP3A4CTSDCTSE
SCHEMBL4785745 1.00 REN (1.00) RENCYP3A4CTSDCTSE
SCHEMBL1472318 1.00 REN (1.00) RENCYP3A4CTSDCTSE
SCHEMBL30105796 1.00 REN (1.00) RENCYP3A4CTSDCTSE
SCHEMBL1472485 1.00 REN (1.00) RENCYP3A4CTSDCTSE
SCHEMBL1985127 0.90 REN (0.81) RENCYP3A4CTSDCTSE
SCHEMBL5654200 0.88 REN (0.79) RENCYP3A4CTSDCTSE
SCHEMBL5654202 0.88 REN (0.79) RENCYP3A4CTSDCTSE
SCHEMBL5076941 0.88 REN (1.00) REN
SCHEMBL5076945 0.88 REN (1.00) 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
WO-2008088690-A2 A PROCESS FOR PREPARING DIAZABICYCLO[3.3.1] NONANE COMPOUNDS MERCK & CO., INC. (US) 2008-07-24 WO disclosed