SCHEMBL7143129

SCHEMBL7143129

CC(Cc1ccccc1)NC[C@H](O)c1ccccc1C(=O)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.52
ADRB1 P08588 7/20 0.51
ADRB3 P13945 7/20 0.51
SIGMAR1 Q99720 3/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
CASP3 P42574 1/20 0.44
CASP6 P55212 1/20 0.44

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
SCHEMBL7143133 1.00 ADRB2 (0.52) ADRB2ADRB1ADRB3SIGMAR1NPC1
SCHEMBL7145339 0.78 ADRB2 (0.63) ADRB2ADRB1ADRB3SIGMAR1CYP2D6
SCHEMBL7145334 0.78 ADRB2 (0.63) ADRB2ADRB1ADRB3SIGMAR1CYP2D6
SCHEMBL7148585 0.77 ADRB2 (0.68) ADRB2ADRB1ADRB3SIGMAR1CYP1A2
SCHEMBL7147382 0.77 ADRB2 (0.58) ADRB2ADRB1ADRB3SIGMAR1CYP1A2
SCHEMBL7147380 0.77 ADRB2 (0.58) ADRB2ADRB1ADRB3SIGMAR1CYP1A2
SCHEMBL7148579 0.77 ADRB2 (0.68) ADRB2ADRB1ADRB3SIGMAR1CYP1A2
SCHEMBL7146801 0.76 MEN1 (0.44) TP53TSHR
SCHEMBL7152526 0.76 ADRB1 (0.58) ADRB2ADRB1ADRB3SIGMAR1CYP2D6
SCHEMBL7152527 0.76 ADRB1 (0.58) ADRB2ADRB1ADRB3SIGMAR1CYP2D6

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 13 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-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US 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