SCHEMBL8080797

SCHEMBL8080797

C[C@H](NCCc1cc(Cl)c(NCC(=O)O)cc1Cl)[C@@H](O)c1ccc(O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 5/20 0.56
LMNA P02545 2/20 0.52
HIF1A Q16665 2/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
OPRM1 P35372 1/20 0.52
TMEM97 Q5BJF2 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
ADRB2 P07550 1/20 0.50
CYP2D6 P10635 1/20 0.50

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
SCHEMBL8080792 1.00 ADRB3 (0.56) ADRB3LMNAHIF1ASLC6A2SLC6A4
SCHEMBL7107193 0.87 ADRB3 (0.58) ADRB3LMNAHIF1ASLC6A2SLC6A4
SCHEMBL7107190 0.87 ADRB3 (0.58) ADRB3LMNAHIF1ASLC6A2SLC6A4
SCHEMBL8086853 0.87 ADRB3 (0.56) ADRB3LMNAHIF1ASLC6A2SLC6A4
SCHEMBL8086859 0.87 ADRB3 (0.56) ADRB3LMNAHIF1ASLC6A2SLC6A4
SCHEMBL7102027 0.86 ADRB3 (0.71) ADRB3LMNAHIF1ASLC6A2SLC6A4
SCHEMBL7102031 0.86 ADRB3 (0.71) ADRB3LMNAHIF1ASLC6A2SLC6A4
SCHEMBL8081760 0.85 ADRB3 (0.54) ADRB3LMNAHIF1ASLC6A2SLC6A4
SCHEMBL8081757 0.85 ADRB3 (0.54) ADRB3LMNAHIF1ASLC6A2SLC6A4
SCHEMBL3016912 0.82 ADRB3 (0.75) ADRB3LMNAHIF1AADRB2CYP2D6

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