SCHEMBL9710986

SCHEMBL9710986

Oc1ccc2c(c1)C[C@H](NC[C@H](O)c1ccccc1)CC2

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 17/20 0.58
ADRB1 P08588 6/20 0.58
DRD3 P35462 2/20 0.57
DRD2 P14416 1/20 0.57
DRD4 P21917 1/20 0.57

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
SCHEMBL9443708 1.00 ADRB3 (0.58) ADRB3ADRB1DRD3DRD2DRD4
SCHEMBL5186278 1.00 ADRB3 (0.58) ADRB3ADRB1DRD3DRD2DRD4
SCHEMBL5187410 1.00 ADRB3 (0.58) ADRB3ADRB1DRD3DRD2DRD4
SCHEMBL9443682 1.00 ADRB3 (0.58) ADRB3ADRB1DRD3DRD2DRD4
SCHEMBL5186271 1.00 ADRB3 (0.58) ADRB3ADRB1DRD3DRD2DRD4
Hydrochloric Acid SCHEMBL10800181 0.99 ADRB3 (0.57) ADRB3ADRB1DRD3DRD2DRD4
Hydrochloric Acid SCHEMBL10803056 0.99 ADRB3 (0.57) ADRB3ADRB1DRD3DRD2DRD4
Hydrochloric Acid SCHEMBL9443703 0.99 ADRB3 (0.57) ADRB3ADRB1DRD3DRD2DRD4
Hydrochloric Acid SCHEMBL9443731 0.99 ADRB3 (0.57) ADRB3ADRB1DRD3DRD2DRD4
Hydrochloric Acid SCHEMBL10800465 0.99 ADRB3 (0.57) ADRB3ADRB1DRD3DRD2DRD4

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-0303545-B1 PROCESS FOR THE PREPARATION OF PHENYLETHANOLAMINOTETRALINES ELF SANOFI (FR) 1992-06-17 EP disclosed