SCHEMBL11535993

SCHEMBL11535993

CC(CCc1ccc(F)cc1)NCC(O)c1ccc(F)c(S(N)(=O)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 11/20 0.52
▸ ADRA1A P35348 10/20 0.51
▸ ADRB1 P08588 10/20 0.51
▸ ADRA1D P25100 9/20 0.51
▸ ADRA1B P35368 9/20 0.51
▸ CYP2D6 P10635 2/20 0.51
▸ HTR1A P08908 2/20 0.51
▸ ADRA2A P08913 2/20 0.51
▸ SLC6A2 P23975 2/20 0.51
▸ SLC6A4 P31645 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ OPRM1 P35372 1/20 0.51
▸ DRD3 P35462 1/20 0.51
▸ HTR2B P41595 1/20 0.51
▸ SLC6A3 Q01959 1/20 0.51
▸ SIGMAR1 Q99720 1/20 0.51

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
Hydrochloric Acid SCHEMBL11535469 0.99 ADRB2 (0.52) ADRB2ADRA1AADRB1ADRA1DADRA1B
SCHEMBL11539106 0.92 ADRB2 (0.61) ADRB2ADRA1AADRB1ADRA1DADRA1B
SCHEMBL11535281 0.90 ADRB2 (0.50) ADRB2ADRA1AADRB1ADRA1DADRA1B
SCHEMBL11535992 0.89 ADRB2 (0.51) ADRB2ADRA1AADRB1ADRA1DADRA1B
SCHEMBL11536595 0.87 ADRB2 (0.47) ADRB2ADRA1AADRB1ADRA1DADRA1B
SCHEMBL13285116 0.82 ADRB1 (0.66) ADRB2ADRA1AADRB1ADRA1DADRA1B
SCHEMBL11873813 0.81 ADRB2 (0.70) ADRB2ADRA1AADRB1ADRA1DADRA1B
Hydrochloric Acid SCHEMBL11486541 0.80 ADRB2 (0.63) ADRB2ADRA1AADRB1ADRA1DADRA1B
SCHEMBL11481741 0.80 ADRB2 (0.62) ADRB2ADRA1AADRB1ADRA1DADRA1B
SCHEMBL13284845 0.79 ADRB2 (0.80) ADRB2ADRA1AADRB1ADRA1DADRA1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4140713-A Phenylethanolamine therapeutic agents ALLEN & HANBURYS LIMITED (GB) 1979-02-20 — — US claimed
US-4140713-A Phenylethanolamine therapeutic agents ALLEN & HANBURYS LIMITED (GB) 1979-02-20 — — US disclosed
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