SCHEMBL7106136

SCHEMBL7106136

CCOC(=O)CN(C)c1ccc(CCN[C@@H](C)[C@H](O)c2ccc(O)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.61
LMNA P02545 2/20 0.61
HIF1A Q16665 2/20 0.61
SLC6A2 P23975 2/20 0.61
SLC6A4 P31645 2/20 0.61
OPRM1 P35372 2/20 0.61
ADRB1 P08588 2/20 0.61
CYP2D6 P10635 1/20 0.61
GALR3 O60755 1/20 0.61
ADRA1A P35348 1/20 0.61
OPRK1 P41145 1/20 0.61
SLC6A3 Q01959 1/20 0.61
ADRB3 P13945 8/20 0.60
TMEM97 Q5BJF2 1/20 0.60
SIGMAR1 Q99720 1/20 0.60

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
SCHEMBL7106139 1.00 ADRB2 (0.61) ADRB2LMNAHIF1ASLC6A2SLC6A4
SCHEMBL8085293 0.86 ADRB2 (0.68) ADRB2LMNAHIF1ASLC6A2SLC6A4
SCHEMBL8085291 0.86 ADRB2 (0.68) ADRB2LMNAHIF1ASLC6A2SLC6A4
SCHEMBL7104876 0.85 ADRB3 (0.67) ADRB2LMNAHIF1ASLC6A2SLC6A4
SCHEMBL7104879 0.85 ADRB3 (0.67) ADRB2LMNAHIF1ASLC6A2SLC6A4
SCHEMBL7108133 0.85 ADRB3 (0.69) ADRB2LMNAHIF1ASLC6A2SLC6A4
SCHEMBL7108137 0.85 ADRB3 (0.69) ADRB2LMNAHIF1ASLC6A2SLC6A4
SCHEMBL7724401 0.81 ADRB3 (0.72) ADRB2LMNAHIF1ASLC6A2SLC6A4
SCHEMBL7724409 0.81 ADRB3 (0.72) ADRB2LMNAHIF1ASLC6A2SLC6A4
Bromide SCHEMBL7110285 0.80 ADRB2 (0.62) ADRB2LMNAHIF1ASLC6A2SLC6A4

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-1043308-B1 PHENYLAMINOALKYLCARBOXYLIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME KISSEI PHARMACEUTICAL (JP) 2003-09-24 EP disclosed
EP-1043308-A1 PHENYLAMINOALKYLCARBOXYLIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2000-10-11 EP disclosed