SCHEMBL7685564

SCHEMBL7685564

CS(=O)(=O)Nc1cc([C@@H](O)CN(CCC(c2ccc(N3CCCC3)cc2)c2ccc(N3CCCC3)cc2)Cc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 14/20 0.43
ADRB2 P07550 10/20 0.43
ADRB1 P08588 8/20 0.43
RORC P51449 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR6 P50406 2/20 0.38

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
SCHEMBL7685567 1.00 ADRB3 (0.43) ADRB3ADRB2ADRB1RORCKDM4E
SCHEMBL6074837 0.84 ADRB3 (0.50) ADRB3ADRB2
SCHEMBL7605286 0.84 MEN1 (0.39) ADRB3ADRB2ADRB1RORCKDM4E
SCHEMBL7604462 0.82 POLB (0.46) RORCKDM4EMEN1ALDH1A1TP53
SCHEMBL7612169 0.79 AR (0.44) ADRB3MEN1KMT2A
SCHEMBL7610085 0.79 HDAC3 (0.44) ADRB3KDM4EMEN1ALDH1A1TP53
SCHEMBL7605273 0.77 ADRB3 (0.44) ADRB3ADRB2
SCHEMBL7656679 0.75 ADRB3 (0.44) ADRB3ADRB2
SCHEMBL2456888 0.75 ADRB3 (0.53) ADRB3ADRB2
SCHEMBL6074905 0.75 ADRB3 (0.53) ADRB3ADRB2

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-1230210-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-14 EP disclosed
WO-2001036375-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-25 WO disclosed