SCHEMBL6132081

SCHEMBL6132081

COc1cc(C(C)N2CCN(c3ccccc3OC)CC2)ccc1OC(=O)N(C)C

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 4/20 0.52
POLB P06746 1/20 0.50
ACHE P22303 1/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.46

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
SCHEMBL7688848 0.92 UTS2R (0.50) UTS2RACHE
Hydrochloric Acid SCHEMBL7680845 0.89 UTS2R (0.48) UTS2RACHEALDH1A1LMNA
SCHEMBL6131793 0.88 GAA (0.59) UTS2RPOLBALDH1A1LMNAGAA
Hydrochloric Acid SCHEMBL7684865 0.88 RBP4 (0.48) UTS2RACHE
Hydrochloric Acid SCHEMBL7688425 0.83 OGA (0.51) ALDH1A1
SCHEMBL6131801 0.81 KMT2A (0.52) UTS2RPOLBADRA1DADRA1AADRA1B
SCHEMBL6131997 0.81 KMT2A (0.50) UTS2RPOLBADRA1DADRA1AADRA1B
SCHEMBL6131867 0.80 UTS2R (0.52) UTS2RGAA
SCHEMBL6131934 0.80 UTS2R (0.52) UTS2RGAA
SCHEMBL6131939 0.80 GAA (0.55) UTS2RPOLBADRB2ADRB1ADRB3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032559-A4 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2005-05-25 EP claimed
EP-1032559-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2000-09-06 EP claimed
WO-1999016746-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 1999-04-08 WO claimed