SCHEMBL4403182

SCHEMBL4403182

CC(C)Oc1cc(-c2ccc(CCCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)NS(=O)(=O)CCCO

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.75
ADRB1 P08588 12/20 0.75

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
SCHEMBL4403190 1.00 ADRB3 (0.75) ADRB3ADRB1
Hydrochloric Acid SCHEMBL1626636 0.99 ADRB3 (0.76) ADRB3ADRB1
Hydrochloric Acid SCHEMBL1626632 0.99 ADRB3 (0.76) ADRB3ADRB1
SCHEMBL1620560 0.96 ADRB3 (0.81) ADRB3ADRB1
SCHEMBL1620561 0.96 ADRB3 (0.81) ADRB3ADRB1
Hydrochloric Acid SCHEMBL1622417 0.96 ADRB3 (0.82) ADRB3ADRB1
Hydrochloric Acid SCHEMBL1622422 0.96 ADRB3 (0.82) ADRB3ADRB1
SCHEMBL1622522 0.91 ADRB3 (0.62) ADRB3ADRB1
SCHEMBL1622525 0.91 ADRB3 (0.62) ADRB3ADRB1
Hydrochloric Acid SCHEMBL1622202 0.91 ADRB3 (0.63) ADRB3ADRB1

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-1791811-B1 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC (JP) 2009-12-23 EP disclosed