SCHEMBL8879991

SCHEMBL8879991

CN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 1.00
ABCB11 O95342 2/20 0.64
ADRB1 P08588 1/20 0.64
DRD2 P14416 1/20 0.64
PDE4A P27815 1/20 0.64

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
Hydrochloric Acid SCHEMBL8879902 0.99 ADRB2 (0.98) ADRB2ABCB11ADRB1DRD2PDE4A
SCHEMBL3585936 0.90 ADRB2 (1.00) ADRB2
SCHEMBL3596833 0.90 ADRB2 (0.89) ADRB2
SCHEMBL3584505 0.89 ADRB2 (0.86) ADRB2
SCHEMBL3582012 0.89 ADRB2 (0.80) ADRB2ABCB11ADRB1DRD2PDE4A
SCHEMBL3581965 0.88 ADRB2 (0.88) ADRB2ABCB11
SCHEMBL3592448 0.87 ADRB2 (1.00) ADRB2
SCHEMBL3596653 0.87 ADRB2 (0.84) ADRB2ABCB11ADRB1DRD2PDE4A
SCHEMBL3583972 0.86 ADRB2 (0.81) ADRB2
SCHEMBL4218617 0.85 ADRB2 (1.00) ADRB2ADRB1DRD2

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-5648370-A 7-(2-aminoethyl) benzothiazolones ASTRA PHARMACEUTICALS LIMITED (GB) 1997-07-15 US claimed