SCHEMBL5190002

SCHEMBL5190002

O=C(NS(=O)(=O)CCO)c1ccc(-c2ccc(CCNCC(O)c3ccccc3)cc2)cc1OC1CCCCC1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.81
ADRB1 P08588 10/20 0.80

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
SCHEMBL1622642 1.00 ADRB3 (0.81) ADRB3ADRB1
SCHEMBL1622647 1.00 ADRB3 (0.81) ADRB3ADRB1
Hydrochloric Acid SCHEMBL1623261 0.99 ADRB3 (0.82) ADRB3ADRB1
Hydrochloric Acid SCHEMBL1623265 0.99 ADRB3 (0.82) ADRB3ADRB1
SCHEMBL1622572 0.95 ADRB3 (0.79) ADRB3ADRB1
SCHEMBL1622574 0.95 ADRB3 (0.79) ADRB3ADRB1
Hydrochloric Acid SCHEMBL1622575 0.95 ADRB3 (0.80) ADRB3ADRB1
Hydrochloric Acid SCHEMBL1622573 0.95 ADRB3 (0.80) ADRB3ADRB1
Hydrochloric Acid SCHEMBL1622194 0.94 ADRB3 (0.78) ADRB3ADRB1
Hydrochloric Acid SCHEMBL1622193 0.94 ADRB3 (0.78) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791811-A1 AMINOALCOHOL DERIVATIVES Astellas Pharma Inc. (JP) 2007-06-06 EP claimed
WO-2006033446-A1 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2006-03-30 WO claimed