SCHEMBL7153097

SCHEMBL7153097

COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(OC)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 17/20 0.78
▸ ADRB1 P08588 6/20 0.65
▸ ADRB3 P13945 5/20 0.65
▸ CYP3A4 P08684 3/20 0.65
▸ MAPK1 P28482 3/20 0.65
▸ DRD2 P14416 2/20 0.65
▸ SLC6A4 P31645 2/20 0.65
▸ ADRA1A P35348 2/20 0.65
▸ SLC6A3 Q01959 2/20 0.65
▸ CYP2D6 P10635 2/20 0.65
▸ TSHR P16473 2/20 0.65
▸ PGR P06401 1/20 0.65
▸ PTGS2 P35354 1/20 0.65
▸ CYP1A2 P05177 1/20 0.65
▸ CYP2C19 P33261 1/20 0.65
▸ DRD3 P35462 1/20 0.65
▸ AOC3 Q16853 1/20 0.58
▸ HIF1A Q16665 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ ADORA3 P0DMS8 1/20 0.57

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
SCHEMBL7153093 1.00 ADRB2 (0.78) ADRB2ADRB1ADRB3CYP3A4MAPK1
SCHEMBL7153454 0.93 ADRB2 (0.72) ADRB2ADRB1ADRB3CYP3A4MAPK1
SCHEMBL7153455 0.93 ADRB2 (0.72) ADRB2ADRB1ADRB3CYP3A4MAPK1
SCHEMBL7049980 0.93 ADRB2 (0.72) ADRB2ADRB1ADRB3CYP3A4MAPK1
SCHEMBL10659742 0.91 ADRB2 (0.66) ADRB2ADRB1ADRB3CYP3A4MAPK1
SCHEMBL11810215 0.88 ADRB2 (0.73) ADRB2ADRB1ADRB3CYP3A4MAPK1
SCHEMBL20175855 0.88 ADRB2 (1.00) ADRB2ADRB1ADRB3CYP3A4MAPK1
SCHEMBL22481289 0.86 ADRB2 (0.63) ADRB2ADRB1ADRB3CYP3A4MAPK1
SCHEMBL15271352 0.85 ADRB2 (0.69) ADRB2ADRB1ADRB3CYP3A4MAPK1
SCHEMBL593754 0.85 ADRB2 (0.69) ADRB2ADRB1ADRB3CYP3A4MAPK1

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
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