SCHEMBL8086801

SCHEMBL8086801

C[C@H](NCCc1ccc(NCC(=O)O)c(I)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 0.61
LMNA P02545 2/20 0.61
SLC6A2 P23975 2/20 0.61
SLC6A4 P31645 2/20 0.61
OPRM1 P35372 2/20 0.61
HIF1A Q16665 2/20 0.61
TMEM97 Q5BJF2 1/20 0.61
SIGMAR1 Q99720 1/20 0.61
ADRB2 P07550 2/20 0.59
CYP2D6 P10635 1/20 0.59
GALR3 O60755 1/20 0.59
ADRB1 P08588 1/20 0.59
ADRA1A P35348 1/20 0.59
OPRK1 P41145 1/20 0.59
SLC6A3 Q01959 1/20 0.59

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
SCHEMBL8086806 1.00 ADRB3 (0.61) ADRB3LMNASLC6A2SLC6A4OPRM1
SCHEMBL8081725 0.88 ADRB3 (0.62) ADRB3LMNASLC6A2SLC6A4OPRM1
SCHEMBL8081732 0.88 ADRB3 (0.62) ADRB3LMNASLC6A2SLC6A4OPRM1
SCHEMBL7102027 0.88 ADRB3 (0.71) ADRB3LMNASLC6A2SLC6A4OPRM1
SCHEMBL7102031 0.88 ADRB3 (0.71) ADRB3LMNASLC6A2SLC6A4OPRM1
SCHEMBL7103158 0.87 ADRB3 (0.61) ADRB3LMNASLC6A2SLC6A4OPRM1
SCHEMBL8082555 0.87 ADRB3 (0.61) ADRB3LMNASLC6A2SLC6A4OPRM1
SCHEMBL8080865 0.82 ADRB3 (0.74) ADRB3LMNASLC6A2SLC6A4OPRM1
SCHEMBL8080860 0.82 ADRB3 (0.74) ADRB3LMNASLC6A2SLC6A4OPRM1
Acetic Acid SCHEMBL8086808 0.81 ADRB2 (0.62) ADRB3LMNASLC6A2SLC6A4OPRM1

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