SCHEMBL9520836

SCHEMBL9520836

C[C@@H](CCCCOCCc1ccccc1)C[C@@H](N)Cc1ccc(O)c2[nH]c(=O)sc12

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.55
ADRB1 P08588 6/20 0.55
DRD2 P14416 4/20 0.55
ABCB11 O95342 2/20 0.55
PDE4A P27815 1/20 0.55

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
SCHEMBL9520825 1.00 ADRB2 (0.55) ADRB2ADRB1DRD2ABCB11PDE4A
Hydrochloric Acid SCHEMBL7829640 0.99 ADRB2 (0.54) ADRB2ADRB1DRD2ABCB11PDE4A
Hydrochloric Acid SCHEMBL7829647 0.99 ADRB2 (0.54) ADRB2ADRB1DRD2ABCB11PDE4A
SCHEMBL7838018 0.88 ADRB2 (0.55) ADRB2ADRB1DRD2ABCB11PDE4A
SCHEMBL7838017 0.88 ADRB2 (0.55) ADRB2ADRB1DRD2ABCB11PDE4A
Hydrochloric Acid SCHEMBL7839358 0.87 ADRB2 (0.54) ADRB2ADRB1DRD2ABCB11PDE4A
Hydrochloric Acid SCHEMBL7839356 0.87 ADRB2 (0.54) ADRB2ADRB1DRD2ABCB11PDE4A
SCHEMBL9522096 0.85 ADRB2 (0.59) ADRB2ADRB1DRD2ABCB11PDE4A
SCHEMBL7843227 0.84 ADRB2 (0.53) ADRB2ADRB1DRD2ABCB11PDE4A
Hydrochloric Acid SCHEMBL7839357 0.84 ADRB2 (0.59) ADRB2ADRB1DRD2ABCB11PDE4A

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-0558677-A1 BIOLOGICALLY ACTIVE AMINES Astra Pharmaceuticals Limited (GB) 1993-09-08 EP claimed
WO-1992008708-A1 BIOLOGICALLY ACTIVE AMINES FISONS PLC (GB) 1992-05-29 WO claimed