SCHEMBL7147938

SCHEMBL7147938

CC[C@H](Cc1ccc(OC)c(OC)c1)NC[C@H](O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 9/20 0.52
LMNA P02545 3/20 0.45
CYP3A4 P08684 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
ALDH1A1 P00352 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SLC22A1 O15245 1/20 0.45
CHRM2 P08172 1/20 0.45
ADRB1 P08588 1/20 0.45
CHRM1 P11229 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
OPRM1 P35372 1/20 0.45
HIF1A Q16665 1/20 0.45
SLC22A3 O75751 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
ADRB3 P13945 4/20 0.43
CYP2D6 P10635 1/20 0.42
SLC6A2 P23975 1/20 0.42

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
SCHEMBL8206096 1.00 ADRB2 (0.52) ADRB2LMNACYP3A4SLC6A4SLC6A3
SCHEMBL7147936 1.00 ADRB2 (0.52) ADRB2LMNACYP3A4SLC6A4SLC6A3
SCHEMBL9236382 0.90 ADRB2 (0.44) ADRB2LMNACYP3A4SLC6A4SLC6A3
SCHEMBL7148804 0.86 ADRB2 (0.50) ADRB2LMNACYP3A4SLC6A4SLC6A3
SCHEMBL7148803 0.86 ADRB2 (0.50) ADRB2LMNACYP3A4SLC6A4SLC6A3
SCHEMBL7151604 0.86 ADRB3 (0.53) ADRB2ADRB1ADRB3CYP2D6
SCHEMBL7151605 0.86 ADRB3 (0.53) ADRB2ADRB1ADRB3CYP2D6
SCHEMBL7148273 0.84 ADRB2 (0.61) ADRB2LMNACYP3A4SLC6A4SLC6A3
SCHEMBL7148278 0.84 ADRB2 (0.61) ADRB2LMNACYP3A4SLC6A4SLC6A3
SCHEMBL11797566 0.80 POLB (0.57) ADRB2LMNACYP3A4SLC6A4SLC6A3

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 10 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-0939134-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2002-09-11 EP 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