SCHEMBL11570261

SCHEMBL11570261

CC(CCN(C)c1ccc(Cl)cc1)NCC(O)c1ccc(O)c(C(N)=O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 13/20 0.60
▸ ADRB1 P08588 13/20 0.60
▸ ADRA1D P25100 12/20 0.60
▸ ADRA1A P35348 12/20 0.60
▸ ADRA1B P35368 12/20 0.60
▸ KDM4E B2RXH2 4/20 0.60
▸ LMNA P02545 3/20 0.60
▸ HSD17B10 Q99714 3/20 0.60
▸ CYP2D6 P10635 2/20 0.60
▸ ADRA2A P08913 2/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ HPGD P15428 2/20 0.60
▸ CYP1A2 P05177 2/20 0.60
▸ NFKB1 P19838 2/20 0.60
▸ HIF1A Q16665 2/20 0.60
▸ HTR1A P08908 1/20 0.60
▸ SLC6A2 P23975 1/20 0.60
▸ SLC6A4 P31645 1/20 0.60
▸ OPRM1 P35372 1/20 0.60
▸ DRD3 P35462 1/20 0.60

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
SCHEMBL11560547 0.94 ADRB1 (0.62) ADRB2ADRB1ADRA1DADRA1AADRA1B
SCHEMBL11571146 0.92 ADRB2 (0.62) ADRB2ADRB1ADRA1DADRA1AADRA1B
SCHEMBL11563949 0.91 ADRB1 (0.61) ADRB2ADRB1ADRA1DADRA1AADRA1B
SCHEMBL11573914 0.91 ADRB2 (0.61) ADRB2ADRB1ADRA1DADRA1AADRA1B
SCHEMBL11570708 0.90 ADRB1 (0.60) ADRB2ADRB1ADRA1DADRA1AADRA1B
SCHEMBL11561274 0.90 ADRB2 (0.71) ADRB2ADRB1ADRA1DADRA1AADRA1B
SCHEMBL11571988 0.89 ADRB1 (0.59) ADRB2ADRB1ADRA1DADRA1AADRA1B
SCHEMBL11574990 0.89 ADRB2 (0.58) ADRB2ADRB1ADRA1DADRA1AADRA1B
SCHEMBL11572012 0.88 ADRB1 (0.57) ADRB2ADRB1ADRA1DADRA1AADRA1B
SCHEMBL11571172 0.88 ADRB1 (0.57) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4163053-A Anti-hypertensive 5-[2-(substituted anilinoalkylamino)-1-hydroxyalkyl]salicylamides SCHERING CORPORATION (US) 1979-07-31 — — US claimed
US-4163053-A Anti-hypertensive 5-[2-(substituted anilinoalkylamino)-1-hydroxyalkyl]salicylamides SCHERING CORPORATION (US) 1979-07-31 — — US disclosed
EP-0002867-A1 5-(2-Anilinoalkylamino-1-hydroxyalkyl)salicylamides, their preparation and anti-hypertensive compositions containing them Technobiotic Ltd. (CH) 1979-07-11 — — EP disclosed
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