SCHEMBL8072869

SCHEMBL8072869

C[C@H](NCCc1cc(Cl)c(N(C)CC(=O)O)c(Cl)c1)[C@@H](O)c1ccc(O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 5/20 0.63
ADRB2 P07550 2/20 0.57
LMNA P02545 2/20 0.57
HIF1A Q16665 2/20 0.57
SLC6A2 P23975 2/20 0.57
SLC6A4 P31645 2/20 0.57
OPRM1 P35372 2/20 0.57
CYP2D6 P10635 1/20 0.57
GALR3 O60755 1/20 0.57
ADRB1 P08588 1/20 0.57
ADRA1A P35348 1/20 0.57
OPRK1 P41145 1/20 0.57
SLC6A3 Q01959 1/20 0.57
TMEM97 Q5BJF2 1/20 0.56
SIGMAR1 Q99720 1/20 0.56

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
SCHEMBL8072865 1.00 ADRB3 (0.63) ADRB3ADRB2LMNAHIF1ASLC6A2
SCHEMBL8073035 0.89 ADRB3 (0.65) ADRB3ADRB2LMNAHIF1ASLC6A2
SCHEMBL8073030 0.89 ADRB3 (0.65) ADRB3ADRB2LMNAHIF1ASLC6A2
SCHEMBL7104879 0.87 ADRB3 (0.67) ADRB3ADRB2LMNAHIF1ASLC6A2
SCHEMBL7104876 0.87 ADRB3 (0.67) ADRB3ADRB2LMNAHIF1ASLC6A2
SCHEMBL8085291 0.84 ADRB2 (0.68) ADRB3ADRB2LMNAHIF1ASLC6A2
SCHEMBL8085293 0.84 ADRB2 (0.68) ADRB3ADRB2LMNAHIF1ASLC6A2
SCHEMBL7107117 0.82 ADRB3 (0.67) ADRB3ADRB2LMNAHIF1ASLC6A2
SCHEMBL7107114 0.82 ADRB3 (0.67) ADRB3ADRB2LMNAHIF1ASLC6A2
Acetic Acid SCHEMBL7107390 0.81 ADRB3 (0.63) ADRB3ADRB2LMNAHIF1ASLC6A2

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