SCHEMBL1040689

SCHEMBL1040689

COCCCN1CCOc2ccc(CO[C@H]3C(Cc4ccccc4)N(C(=O)O)C[C@@H](OC[C@H]4CO4)[C@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.33
KCNH2 Q12809 1/20 0.31
FFAR1 O14842 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30
TP53 P04637 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL1040326 0.91 REN (0.34) RENTP53THRB
SCHEMBL1038321 0.87 REN (0.34) RENTP53THRB
SCHEMBL1040340 0.85 REN (0.37) RENTP53THRB
SCHEMBL1037840 0.85 REN (0.33) REN
SCHEMBL1038318 0.84 REN (0.37) REN
SCHEMBL1038940 0.84 RORC (0.32) RENTHRB
SCHEMBL3908978 0.84 MMP9 (0.35) RENTP53THRB
SCHEMBL1039332 0.84 MMP9 (0.35) RENTP53THRB
SCHEMBL1040811 0.83 MAPT (0.33) RENTP53THRB
SCHEMBL1037108 0.83 REN (0.35) 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
EP-2049514-B1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2011-01-26 EP disclosed