SCHEMBL7146429

SCHEMBL7146429

CCC[C@H](Cc1ccc(OC)c(OC)c1)NC[C@H](O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 6/20 0.59
SIGMAR1 Q99720 10/20 0.57
ADRB1 P08588 2/20 0.47
ADRB3 P13945 1/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SLC22A1 O15245 1/20 0.46
CHRM2 P08172 1/20 0.46
CYP3A4 P08684 1/20 0.46
CHRM1 P11229 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
SLC6A4 P31645 1/20 0.46
OPRM1 P35372 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HIF1A Q16665 1/20 0.46
KDM4E B2RXH2 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
SCHEMBL7146428 1.00 ADRB2 (0.59) ADRB2SIGMAR1ADRB1ADRB3ALDH1A1
SCHEMBL7148273 0.91 ADRB2 (0.61) ADRB2SIGMAR1ADRB1ADRB3ALDH1A1
SCHEMBL7148278 0.91 ADRB2 (0.61) ADRB2SIGMAR1ADRB1ADRB3ALDH1A1
SCHEMBL9117884 0.83 ADRB1 (0.65) ADRB2ADRB1ADRB3
SCHEMBL7150546 0.83 ADRB1 (0.65) ADRB2ADRB1ADRB3
SCHEMBL7150543 0.83 ADRB1 (0.65) ADRB2ADRB1ADRB3
SCHEMBL7153108 0.82 ADRB2 (0.56) ADRB2SIGMAR1ADRB1ADRB3ALDH1A1
SCHEMBL7153113 0.82 ADRB2 (0.56) ADRB2SIGMAR1ADRB1ADRB3ALDH1A1
SCHEMBL10028825 0.81 ADRB2 (0.66) ADRB2ADRB1ALDH1A1LMNANPSR1
SCHEMBL25977998 0.79 ADRB2 (0.54) ADRB2SIGMAR1ADRB1ADRB3

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-0924193-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2003-02-19 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-0924193-A1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-06-23 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
US-5629200-A MICROORGANISM DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1997-05-13 US disclosed