SCHEMBL8974973

SCHEMBL8974973

COc1ccc(CCC(C)NCC(O)c2cccc(Cl)c2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.60
ADRB2 P07550 11/20 0.56
ADRB3 P13945 15/20 0.55
ADRB1 P08588 12/20 0.55
GLA P06280 1/20 0.53
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
HIF1A Q16665 1/20 0.52
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52

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
SCHEMBL7148487 0.89 SLC2A1 (0.69) SLC2A1ADRB2ADRB3ADRB1GLA
SCHEMBL7211873 0.89 SLC2A1 (0.69) SLC2A1ADRB2ADRB3ADRB1GLA
SCHEMBL8301319 0.89 SLC2A1 (0.69) SLC2A1ADRB2ADRB3ADRB1GLA
SCHEMBL7148491 0.89 SLC2A1 (0.69) SLC2A1ADRB2ADRB3ADRB1GLA
Hydrochloric Acid SCHEMBL11544573 0.84 ADRB2 (0.74) ADRB2ADRB3ADRB1CYP3A4HIF1A
SCHEMBL11168722 0.84 SLC2A1 (0.72) SLC2A1ADRB2ADRB3ADRB1GLA
SCHEMBL10840645 0.83 SLC2A1 (0.70) SLC2A1ADRB2ADRB3ADRB1CYP2D6
SCHEMBL10890383 0.83 SLC2A1 (0.70) SLC2A1ADRB2ADRB3ADRB1CYP2D6
SCHEMBL11172822 0.83 SLC2A1 (0.64) SLC2A1ADRB2ADRB3ADRB1GLA
SCHEMBL10838570 0.80 SLC2A1 (0.67) SLC2A1ADRB2ADRB3ADRB1GLA

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-5482971-A Beta3 -adrenergic agents and their use in pharmaceutical compositions AMERICAN CYANAMID COMPANY (US) 1996-01-09 US disclosed