SCHEMBL11369828

SCHEMBL11369828

Cc1ccccc1N(C)CCCCNCC(O)c1ccc(O)c([S+](C)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 17/20 0.43
▸ ADRB1 P08588 10/20 0.41
▸ DRD2 P14416 3/20 0.39
▸ DRD4 P21917 3/20 0.39
▸ DRD3 P35462 3/20 0.39
▸ DRD1 P21728 2/20 0.39
▸ ADRB3 P13945 9/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ CHRM5 P08912 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ FPR3 P25089 1/20 0.38
▸ ADRA1D P25100 1/20 0.38
▸ HTR1D P28221 1/20 0.38
▸ HTR1B P28222 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ GPR183 P32249 1/20 0.38

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
SCHEMBL11379580 0.89 ADRB2 (0.42) ADRB2ADRB1DRD2DRD4DRD3
SCHEMBL11372453 0.88 ADRB2 (0.46) ADRB2ADRB1DRD2DRD4DRD3
SCHEMBL11376096 0.87 ADRB2 (0.46) ADRB2ADRB1DRD2DRD4DRD3
SCHEMBL11373293 0.87 ADRB2 (0.46) ADRB2ADRB1DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL11365766 0.87 ADRB2 (0.46) ADRB2ADRB1DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL11374289 0.86 ADRB2 (0.45) ADRB2ADRB1DRD2DRD4DRD3
SCHEMBL11365956 0.85 ADRB2 (0.44) ADRB2ADRB1DRD2DRD4DRD3
SCHEMBL11375196 0.85 ADRB2 (0.49) ADRB2ADRB1DRD2DRD4DRD3
SCHEMBL11377591 0.84 ADRB2 (0.45) ADRB2ADRB1DRD2DRD4DRD3
SCHEMBL11367540 0.83 ADRB2 (0.42) ADRB2ADRB1DRD3DRD1ADRB3

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-4304790-A 2-(Alkylthio, alkylsulfinyl or alkylsulfonyl)-4-[2-anilinoalkylamino)-1-hydroxyethyl]phenols and derivatives thereof SCHERING CORPORATION (US) 1981-12-08 — — US disclosed
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