SCHEMBL7148914

SCHEMBL7148914

CC(=O)NC(=O)c1ccc(C[C@@H](C)NC[C@H](O)c2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 12/20 0.72
ADRB1 P08588 11/20 0.72
ADRB2 P07550 9/20 0.53
CASP3 P42574 1/20 0.53
CASP6 P55212 1/20 0.53
ADRA1A P35348 2/20 0.48
CYP2D6 P10635 2/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1B P35368 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SLC2A1 P11166 1/20 0.48
CYP3A4 P08684 2/20 0.48
MAPK1 P28482 2/20 0.48
TSHR P16473 1/20 0.48
HIF1A Q16665 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
PTGS1 P23219 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
SCHEMBL7148911 1.00 ADRB3 (0.72) ADRB3ADRB1ADRB2CASP3CASP6
SCHEMBL7148196 0.87 ADRB1 (0.79) ADRB3ADRB1ADRB2CASP3CASP6
SCHEMBL11184120 0.87 ADRB1 (0.79) ADRB3ADRB1ADRB2CASP3CASP6
SCHEMBL7148194 0.87 ADRB1 (0.79) ADRB3ADRB1ADRB2CASP3CASP6
SCHEMBL7148614 0.87 ADRB3 (0.74) ADRB3ADRB1ADRB2ADRA1ACYP2D6
SCHEMBL7148618 0.87 ADRB3 (0.74) ADRB3ADRB1ADRB2ADRA1ACYP2D6
SCHEMBL9006683 0.86 ADRB1 (0.95) ADRB3ADRB1ADRB2CASP3CASP6
SCHEMBL7143110 0.86 ADRB1 (0.95) ADRB3ADRB1ADRB2CASP3CASP6
SCHEMBL7143114 0.86 ADRB1 (0.95) ADRB3ADRB1ADRB2CASP3CASP6
SCHEMBL6506229 0.84 ADRB1 (0.70) ADRB3ADRB1ADRB2CASP3CASP6

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 7 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
US-5629200-A MICROORGANISM DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1997-05-13 US disclosed