SCHEMBL3719343

SCHEMBL3719343

CC(CC(c1ccccc1)c1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 12/20 0.72
▸ ADRB1 P08588 11/20 0.72
▸ ADRA1D P25100 10/20 0.72
▸ ADRA1A P35348 10/20 0.72
▸ ADRA1B P35368 10/20 0.72
▸ KDM4E B2RXH2 5/20 0.72
▸ LMNA P02545 4/20 0.72
▸ HSD17B10 Q99714 4/20 0.72
▸ ALDH1A1 P00352 3/20 0.72
▸ HPGD P15428 3/20 0.72
▸ CYP1A2 P05177 3/20 0.72
▸ NFKB1 P19838 3/20 0.72
▸ HIF1A Q16665 3/20 0.72
▸ CYP2D6 P10635 2/20 0.72
▸ ADRA2A P08913 2/20 0.72
▸ DRD3 P35462 2/20 0.72
▸ CYP2C19 P33261 2/20 0.72
▸ HTR1A P08908 1/20 0.72
▸ SLC6A2 P23975 1/20 0.72
▸ SLC6A4 P31645 1/20 0.72

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
SCHEMBL10883901 1.00 ADRB2 (0.72) ADRB2ADRB1ADRA1DADRA1AADRA1B
SCHEMBL7208694 0.86 ADRB2 (0.80) ADRB2ADRB1ADRA1DADRA1AADRA1B
SCHEMBL7208690 0.86 ADRB2 (0.80) ADRB2ADRB1ADRA1DADRA1AADRA1B
SCHEMBL11565658 0.85 ADRB2 (0.71) ADRB2ADRB1ADRA1DADRA1AADRA1B
SCHEMBL11569088 0.85 ADRB2 (0.65) ADRB2ADRB1ADRA1DADRA1AADRA1B
Labetalol SCHEMBL10356800 0.84 ADRB1 (1.00) ADRB2ADRB1ADRA1DADRA1AADRA1B
Labetalol SCHEMBL4582 0.84 ADRB1 (1.00) ADRB2ADRB1ADRA1DADRA1AADRA1B
Dilevalol SCHEMBL79468 0.84 ADRB1 (1.00) ADRB2ADRB1ADRA1DADRA1AADRA1B
Labetalol SCHEMBL7273474 0.84 ADRB1 (1.00) ADRB2ADRB1ADRA1DADRA1AADRA1B
Labetalol SCHEMBL41231 0.84 ADRB1 (1.00) ADRB2ADRB1ADRA1DADRA1AADRA1B

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
WO-2010129987-A1 NOVEL RECEPTOR HETERO-DIMERS/-OLIGOMERS DIMERIX BIOSCIENCE PTY LTD (AU) 2010-11-18 — — WO disclosed
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