SCHEMBL7084618

SCHEMBL7084618

CC(C)(C)OC(=O)ON1CCC(c2ccc(CCOC(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)C(O)C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 3/20 0.38
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
SLC6A11 P48066 1/20 0.35
TACR1 P25103 1/20 0.35
HTT P42858 1/20 0.35
RORC P51449 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL6951927 0.91 TACR1 (0.36) SLC6A1SLC6A11TACR1HTTRORC
SCHEMBL7077994 0.89 SLC6A1 (0.41) SLC6A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL7079956 0.87 SLC6A1 (0.35) SLC6A1SLC6A11TACR1HTTRORC
SCHEMBL7081088 0.84 REN (0.43) CHRM3
SCHEMBL7080691 0.83 MEN1 (0.38) TACR1HTTMEN1KMT2A
SCHEMBL6950872 0.83 HTT (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6959991 0.83 S1PR1 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7076319 0.82 KDM1A (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6957302 0.82 S1PR1 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6951206 0.81 MEN1 (0.39) TACR1HTTRORCMEN1KMT2A

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