SCHEMBL7147255

SCHEMBL7147255

CNCCOc1cccc(C[C@@H](C)NC[C@H](O)c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 13/20 0.56
SIGMAR1 Q99720 1/20 0.53
ADRB1 P08588 4/20 0.53
ADRB3 P13945 4/20 0.53
SLC2A1 P11166 3/20 0.52
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL7147259 1.00 ADRB2 (0.56) ADRB2SIGMAR1ADRB1ADRB3SLC2A1
SCHEMBL10898303 0.89 ADRB3 (0.68) ADRB2ADRB1ADRB3SLC2A1ADRA1D
SCHEMBL7207420 0.89 ADRB3 (0.68) ADRB2ADRB1ADRB3SLC2A1ADRA1D
SCHEMBL7207424 0.89 ADRB3 (0.68) ADRB2ADRB1ADRB3SLC2A1ADRA1D
Hydrochloric Acid SCHEMBL10956628 0.89 SLC2A1 (0.68) ADRB2ADRB1ADRB3SLC2A1ADRA1D
SCHEMBL10897280 0.87 ADRB2 (0.61) ADRB2SIGMAR1ADRB1ADRB3SLC2A1
Bromide SCHEMBL11148850 0.86 ADRB2 (0.60) ADRB2SIGMAR1ADRB1ADRB3SLC2A1
SCHEMBL7151325 0.83 ADRB2 (0.78) ADRB2ADRB1ADRB3
SCHEMBL7151328 0.83 ADRB2 (0.78) ADRB2ADRB1ADRB3
SCHEMBL7147252 0.82 ADRB2 (0.58) ADRB2ADRB1ADRB3SLC2A1ADRA1D

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-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
EP-0654534-A2 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-24 EP disclosed