SCHEMBL13812945

SCHEMBL13812945

Oc1cccc([C@@H]2CCCC(NCC(O)c3cccc(Cl)c3)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 12/20 0.43
ADRB1 P08588 2/20 0.43
OPRK1 P41145 2/20 0.42
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL4073010 1.00 ADRB3 (0.43) ADRB3ADRB1OPRK1KDM4E
SCHEMBL13799343 1.00 ADRB3 (0.43) ADRB3ADRB1OPRK1KDM4E
SCHEMBL4070956 1.00 ADRB3 (0.43) ADRB3ADRB1OPRK1KDM4E
SCHEMBL7052344 1.00 ADRB3 (0.43) ADRB3ADRB1OPRK1KDM4E
SCHEMBL13799342 1.00 ADRB3 (0.43) ADRB3ADRB1OPRK1KDM4E
Hydrochloric Acid SCHEMBL7056385 0.99 ADRB3 (0.43) ADRB3ADRB1OPRK1KDM4E
SCHEMBL7058117 0.94 ADRB3 (0.44) ADRB3ADRB1OPRK1
SCHEMBL7058116 0.94 ADRB3 (0.44) ADRB3ADRB1OPRK1
SCHEMBL7056462 0.90 ADRB3 (0.44) ADRB3ADRB1KDM4E
SCHEMBL8076934 0.90 ADRB3 (0.44) ADRB3ADRB1KDM4E

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
US-7544841-B2 Production method of phenylethanolamine compound, and its intermediate MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-09 US disclosed