SCHEMBL7692585

SCHEMBL7692585

O=C(NCCO)c1cccc2c(Oc3ccc(C[C@@H](CO)N(Cc4ccccc4)C[C@H](O)c4cccc(Cl)c4)cc3)ccnc12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 15/20 0.38
ADRB1 P08588 9/20 0.37
ADRB2 P07550 5/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC2A1 P11166 1/20 0.35
KLKB1 P03952 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL7692587 1.00 ADRB3 (0.38) ADRB3ADRB1ADRB2ADRA1DADRA1A
Hydrochloric Acid SCHEMBL7689576 0.91 SLC2A1 (0.34) ADRB3ADRB1ADRB2ADRA1DADRA1A
Hydrochloric Acid SCHEMBL7689573 0.91 SLC2A1 (0.34) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL7692124 0.90 BACE1 (0.38) ADRB3ADRB1ADRB2ADRA1DADRA1A
Hydrochloric Acid SCHEMBL7691953 0.89 SLC2A1 (0.37) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL7694653 0.88 ADRB3 (0.37) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL7694654 0.88 ADRB3 (0.37) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL7688229 0.86 MEN1 (0.35) ADRB3ADRB1ALDH1A1GAAHPGD
SCHEMBL7692121 0.84 ADRB3 (0.34) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL7692123 0.84 ADRB3 (0.34) ADRB3ADRB1ADRB2ADRA1DADRA1A

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
WO-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed