SCHEMBL9706053

SCHEMBL9706053

CC(CCc1ccc(F)cc1)NCC(O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.66
ADRB1 P08588 5/20 0.53
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 3/20 0.53
ADRA1D P25100 3/20 0.53
ADRA1A P35348 3/20 0.53
ADRA1B P35368 3/20 0.53
CYP2D6 P10635 2/20 0.53
ADRA2A P08913 2/20 0.53
LMNA P02545 2/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.53
HTR1A P08908 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
OPRM1 P35372 1/20 0.53
DRD3 P35462 1/20 0.53
HTR2B P41595 1/20 0.53
SLC6A3 Q01959 1/20 0.53
SIGMAR1 Q99720 1/20 0.53

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
SCHEMBL11463351 1.00 ADRB2 (0.66) ADRB2ADRB1ALDH1A1KDM4EADRA1D
Hydrochloric Acid SCHEMBL11480657 0.88 ADRB2 (0.68) ADRB2ADRB1ALDH1A1KDM4EADRA1D
Hydrochloric Acid SCHEMBL11480654 0.88 ADRB2 (0.68) ADRB2ADRB1ALDH1A1KDM4EADRA1D
SCHEMBL10892246 0.87 ADRB2 (0.68) ADRB2ADRB1ALDH1A1KDM4EADRA1D
SCHEMBL11480783 0.87 ADRB2 (0.86) ADRB2ADRB1ALDH1A1KDM4EADRA1D
SCHEMBL11183984 0.87 ADRB2 (0.68) ADRB2ADRB1ALDH1A1KDM4EADRA1D
SCHEMBL10731594 0.87 ADRB2 (0.86) ADRB2ADRB1ALDH1A1KDM4EADRA1D
SCHEMBL9006822 0.87 ADRB2 (0.86) ADRB2ADRB1ALDH1A1KDM4EADRA1D
SCHEMBL9006836 0.87 ADRB2 (0.86) ADRB2ADRB1ALDH1A1KDM4EADRA1D
SCHEMBL9006843 0.87 ADRB2 (0.86) ADRB2ADRB1ALDH1A1KDM4EADRA1D

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
EP-0225165-B1 USE OF PHENETHANOL AMINES TO IMPROVE FAT CONTENT OF SOWS' MILK ELI LILLY AND COMPANY (US) 1992-08-26 EP disclosed
US-4904662-A Raising of pigs ELI LILLY AND COMPANY (US) 1990-02-27 US disclosed
EP-0225165-A2 Use of phenethanol amines to improve fat content of sows' milk ELI LILLY AND COMPANY (US) 1987-06-10 EP disclosed