SCHEMBL9006838

SCHEMBL9006838

C[C@H](CCc1ccc(C(N)=O)cc1)NC[C@@H](O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.66
ADRB1 P08588 4/20 0.64
ADRB2 P07550 3/20 0.64
ADRA1D P25100 3/20 0.64
ADRA1A P35348 3/20 0.64
ADRA1B P35368 3/20 0.64
CYP2D6 P10635 2/20 0.64
ADRA2A P08913 2/20 0.64
KDM4E B2RXH2 2/20 0.64
ALDH1A1 P00352 2/20 0.64
LMNA P02545 2/20 0.64
HPGD P15428 2/20 0.64
HSD17B10 Q99714 2/20 0.64
HTR1A P08908 1/20 0.64
SLC6A2 P23975 1/20 0.64
SLC6A4 P31645 1/20 0.64
OPRM1 P35372 1/20 0.64
DRD3 P35462 1/20 0.64
HTR2B P41595 1/20 0.64
SLC6A3 Q01959 1/20 0.64

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
SCHEMBL9006823 1.00 DPP4 (0.66) DPP4ADRB1ADRB2ADRA1DADRA1A
SCHEMBL10876026 1.00 DPP4 (0.66) DPP4ADRB1ADRB2ADRA1DADRA1A
SCHEMBL11464633 1.00 DPP4 (0.66) DPP4ADRB1ADRB2ADRA1DADRA1A
SCHEMBL9006817 1.00 DPP4 (0.66) DPP4ADRB1ADRB2ADRA1DADRA1A
SCHEMBL9006829 1.00 DPP4 (0.66) DPP4ADRB1ADRB2ADRA1DADRA1A
SCHEMBL10725864 1.00 DPP4 (0.66) DPP4ADRB1ADRB2ADRA1DADRA1A
SCHEMBL10730093 1.00 DPP4 (0.66) DPP4ADRB1ADRB2ADRA1DADRA1A
Hydrochloric Acid SCHEMBL11465154 0.99 DPP4 (0.65) DPP4ADRB1ADRB2ADRA1DADRA1A
Hydrochloric Acid SCHEMBL10564269 0.99 DPP4 (0.65) DPP4ADRB1ADRB2ADRA1DADRA1A
Hydrochloric Acid SCHEMBL11465153 0.99 DPP4 (0.65) DPP4ADRB1ADRB2ADRA1DADRA1A

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 21 patents — showing the first 20. 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
US-5236951-A Administering a phenylethanolamine derivative SANOFI (FR) 1993-08-17 US claimed
EP-0255415-B1 USE OF PHENYLETHANOLAMINES FOR THE PREPARATION OF MEDICAMENTS ACTING ON GASTROINTESTINAL TROUBLES ELF SANOFI (FR) 1993-04-14 EP claimed
US-5002946-A Gastrointestinal diseases associated with smooth muscle contractions SANOFI (FR) 1991-03-26 US claimed
US-4845127-A ANTIBESITY ELI LILLY AND COMPANY (US) 1989-07-04 US claimed
EP-0255415-A2 Use of phenylethanolamines for the preparation of medicaments acting on gastrointestinal troubles ELF SANOFI (FR) 1988-02-03 EP claimed
US-4391826-A DIETETICS ELI LILLY AND COMPANY (US) 1983-07-05 US claimed
EP-0007204-B1 PHENETHANOLAMINES, THEIR FORMULATIONS, USE AND PREPARATION ELI LILLY AND COMPANY (US) 1982-11-24 EP claimed
EP-0007204-A1 Phenethanolamines, their formulations, use and preparation ELI LILLY AND COMPANY (US) 1980-01-23 EP claimed
EP-0403360-B1 Use of phenylethanolamines for the preparation of a medicament for treating ophthalmologic disorders SANOFI SA (FR) 1996-10-16 EP disclosed
US-5236951-A Administering a phenylethanolamine derivative SANOFI (FR) 1993-08-17 US disclosed
EP-0255415-B1 USE OF PHENYLETHANOLAMINES FOR THE PREPARATION OF MEDICAMENTS ACTING ON GASTROINTESTINAL TROUBLES ELF SANOFI (FR) 1993-04-14 EP disclosed
US-5002946-A Gastrointestinal diseases associated with smooth muscle contractions SANOFI (FR) 1991-03-26 US disclosed
EP-0403360-A2 Use of phenylethanolamines for the preparation of a medicament for treating ophthalmologic disorders SANOFI (FR) 1990-12-19 EP disclosed
US-4652679-A Aziridine and phenethanolamine derivatives having antiobesity and anti-hyperglycaemic acitivity HOFFMANN-LA ROCHE INC. (US) 1987-03-24 US disclosed
EP-0094595-B1 AZIRIDINE AND PHENYLETHANOL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1987-01-14 EP disclosed
US-4585796-A HYPOGLYCEMIC, ANTI-OBESITY HOFFMANN-LA ROCHE INC. (US) 1986-04-29 US disclosed
US-4391826-A DIETETICS ELI LILLY AND COMPANY (US) 1983-07-05 US disclosed
EP-0007204-B1 PHENETHANOLAMINES, THEIR FORMULATIONS, USE AND PREPARATION ELI LILLY AND COMPANY (US) 1982-11-24 EP disclosed
EP-0048037-A1 Optically active 1-alkyl-3-(4-substituted-phenyl)-propylamines ELI LILLY AND COMPANY (US) 1982-03-24 EP disclosed