SCHEMBL13799237

SCHEMBL13799237

CCCCNCC(O)c1ccc(O)c(NC(N)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 16/20 0.50
▸ ADRB2 P07550 8/20 0.49
▸ ADRB1 P08588 6/20 0.46
▸ DRD2 P14416 1/20 0.44
▸ DRD1 P21728 1/20 0.44
▸ DRD4 P21917 1/20 0.44
▸ DRD3 P35462 1/20 0.44

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
SCHEMBL11757679 0.91 ADRB2 (0.58) ADRB3ADRB2ADRB1
SCHEMBL11670126 0.82 ADRB2 (0.57) ADRB3ADRB2ADRB1
SCHEMBL9768153 0.80 ADRB2 (0.61) ADRB3ADRB2ADRB1DRD2DRD1
SCHEMBL3220388 0.80 ADRB2 (0.61) ADRB3ADRB2ADRB1DRD2DRD1
Hydrochloric Acid SCHEMBL11750674 0.80 ADRB2 (0.56) ADRB3ADRB2ADRB1
SCHEMBL4427576 0.80 ADRB3 (0.64) ADRB3ADRB2ADRB1DRD2DRD4
SCHEMBL11672728 0.79 ADRB2 (0.55) ADRB3ADRB2ADRB1DRD2DRD1
Hydrochloric Acid SCHEMBL3227981 0.79 ADRB2 (0.62) ADRB3ADRB2ADRB1DRD2DRD1
SCHEMBL11670110 0.79 ADRB2 (0.52) ADRB3ADRB2ADRB1
Carbuterol SCHEMBL37370 0.79 ADRB2 (0.58) ADRB3ADRB2ADRB1

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-7550133-B2 Respiratory drug condensation aerosols and methods of making and using them ALEXZA PHARMACEUTICALS, INC. (US) 2009-06-23 — — US disclosed
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