SCHEMBL7084510

SCHEMBL7084510

CC(C)(C)OC(=O)ON1CC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)C(c2ccc(COC(=O)Nc3ccccc3)cc2)C(OCc2ccc3ccccc3c2)C1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 9/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.37
TACR1 P25103 3/20 0.36
RORC P51449 2/20 0.34
KDM1A O60341 2/20 0.34
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
RCOR1 Q9UKL0 1/20 0.33

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
SCHEMBL7075568 0.92 REN (0.42) RENTACR1
SCHEMBL7081700 0.90 REN (0.42) RENPTGDR2TACR1RORCKDM1A
SCHEMBL7081784 0.89 REN (0.39) RENTACR1
SCHEMBL7082373 0.88 REN (0.46) REN
SCHEMBL7076803 0.88 REN (0.39) REN
SCHEMBL7080782 0.87 REN (0.41) RENTACR1
SCHEMBL6042684 0.86 REN (0.42) RENPTGDR2TACR1KDM1AMAOA
SCHEMBL7078793 0.85 REN (0.53) REN
SCHEMBL7079974 0.82 REN (0.43) RENTACR1
SCHEMBL7081233 0.80 REN (0.49) 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-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed