SCHEMBL9521732

SCHEMBL9521732

Cc1ccc(CCCCCCC(N)c2ccc(O)c3[nH]c(=O)sc23)o1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.45
ADRB1 P08588 18/20 0.45
DRD3 P35462 5/20 0.41

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
SCHEMBL7838618 0.85 ADRB2 (0.38) ADRB2ADRB1DRD3
SCHEMBL9707082 0.77 ADRB2 (0.52) ADRB2ADRB1DRD3
SCHEMBL9522579 0.73 ADRB2 (0.54) ADRB2ADRB1DRD3
SCHEMBL7828193 0.72 ADRB2 (0.50) ADRB2ADRB1
SCHEMBL7837329 0.69
SCHEMBL9522096 0.68 ADRB2 (0.59) ADRB2ADRB1
SCHEMBL9520832 0.68 ADRB2 (0.59) ADRB2ADRB1
Hydrochloric Acid SCHEMBL7829645 0.67 ADRB2 (0.59) ADRB2ADRB1
Hydrochloric Acid SCHEMBL7839357 0.67 ADRB2 (0.59) ADRB2ADRB1
SCHEMBL10215353 0.67 ADRB2 (0.63) ADRB2ADRB1DRD3

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