SCHEMBL7148441

SCHEMBL7148441

COc1ccc(CC(C)NC[C@H](O)c2cccc(C(F)(F)F)c2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 2/20 0.50
ADRB2 P07550 8/20 0.49
ADRB1 P08588 3/20 0.49
LMNA P02545 2/20 0.49
ADRB3 P13945 2/20 0.49
ADRA2C P18825 2/20 0.49
HTR2A P28223 2/20 0.49
SLC6A4 P31645 2/20 0.49
ADRA1A P35348 2/20 0.49
DRD3 P35462 2/20 0.49
HTR2B P41595 2/20 0.49
SIGMAR1 Q99720 1/20 0.49
OPRK1 P41145 1/20 0.49
SLC2A1 P11166 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NR1I2 O75469 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46

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
SCHEMBL7148443 1.00 SMN1; SMN2 (0.50) SMN1; SMN2MAPTADRB2ADRB1LMNA
SCHEMBL10974609 1.00 SMN1; SMN2 (0.50) SMN1; SMN2MAPTADRB2ADRB1LMNA
SCHEMBL10978836 0.92 ADRB1 (0.48) MAPTADRB2ADRB1LMNAADRB3
SCHEMBL10976306 0.91 ADRB3 (0.48) MAPTADRB2ADRB1LMNAADRB3
SCHEMBL7153614 0.88 ADRB1 (0.49) ADRB2ADRB1LMNAADRB3HTR2A
SCHEMBL7153612 0.88 ADRB1 (0.49) ADRB2ADRB1LMNAADRB3HTR2A
SCHEMBL7153058 0.88 ADRB2 (0.48) SMN1; SMN2MAPTADRB2LMNASIGMAR1
SCHEMBL7153055 0.88 ADRB2 (0.48) SMN1; SMN2MAPTADRB2LMNASIGMAR1
SCHEMBL10978911 0.87 ADRB2 (0.63) ADRB2ADRB1ADRB3SLC6A4ADRA1A
Hydrochloric Acid SCHEMBL10974406 0.86 ADRB2 (0.61) ADRB2ADRB1ADRB3SLC6A4ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030143701-A1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. 2003-07-31 US disclosed
EP-0924194-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2003-05-14 EP disclosed
US-6528686-B1 Reacting primary amine and ketone functionalized derivatives; catalytically reducing DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-03-04 US disclosed
EP-0924193-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2003-02-19 EP disclosed
EP-0939134-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2002-09-11 EP disclosed
US-6114582-A DECYCLIZATION TO FORM A CHEMICAL INTERMEDIATE FOR PRODUCING AN ANTI-OBESITY AGENT AND ANTIDIABETIC AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-05 US disclosed
EP-0654534-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2000-03-01 EP disclosed
EP-0939134-A1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-01 EP disclosed
EP-0924194-A2 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-06-23 EP disclosed
EP-0924193-A1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-06-23 EP disclosed
US-5629200-A MICROORGANISM DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1997-05-13 US disclosed
EP-0654534-A2 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-24 EP disclosed