SCHEMBL9007030

SCHEMBL9007030

CC(Cc1ccc(C(=O)O)cc1)NCC(O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 12/20 0.69
ADRB3 P13945 12/20 0.69
ADRB2 P07550 5/20 0.59
CASP3 P42574 1/20 0.59
CASP6 P55212 1/20 0.59
SLC2A1 P11166 1/20 0.52
ADRA1A P35348 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 2/20 0.52
USP2 O75604 2/20 0.52
CYP3A4 P08684 2/20 0.52
NR1I2 O75469 1/20 0.52
HTR1A P08908 1/20 0.52
ADRA2A P08913 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
CHRM3 P20309 1/20 0.52
SLC6A2 P23975 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
SCHEMBL10772579 1.00 ADRB1 (0.69) ADRB1ADRB3ADRB2CASP3CASP6
SCHEMBL9006832 1.00 ADRB1 (0.69) ADRB1ADRB3ADRB2CASP3CASP6
SCHEMBL6553102 0.93 ADRB3 (0.61) ADRB1ADRB3ADRB2CASP3CASP6
SCHEMBL6553106 0.93 ADRB3 (0.61) ADRB1ADRB3ADRB2CASP3CASP6
SCHEMBL6541299 0.92 ADRB3 (0.60) ADRB1ADRB3ADRB2CASP3CASP6
SCHEMBL11053844 0.90 ADRB3 (0.56) ADRB1ADRB3ADRB2SLC2A1ADRA1A
SCHEMBL9007073 0.90 ADRB3 (0.56) ADRB1ADRB3ADRB2SLC2A1ADRA1A
SCHEMBL9007077 0.90 ADRB3 (0.56) ADRB1ADRB3ADRB2SLC2A1ADRA1A
SCHEMBL10773274 0.89 ADRB1 (0.60) ADRB1ADRB3ADRB2SLC2A1ADRA1A
Hydrochloric Acid SCHEMBL11040417 0.89 ADRB3 (0.55) ADRB1ADRB3ADRB2SLC2A1ADRA1A

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
EP-0403360-B1 Use of phenylethanolamines for the preparation of a medicament for treating ophthalmologic disorders SANOFI SA (FR) 1996-10-16 EP claimed
EP-0255415-B1 USE OF PHENYLETHANOLAMINES FOR THE PREPARATION OF MEDICAMENTS ACTING ON GASTROINTESTINAL TROUBLES ELF SANOFI (FR) 1993-04-14 EP claimed