SCHEMBL7146924

SCHEMBL7146924

COc1ccc([C@@H](O)CN)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.64
BLM P54132 3/20 0.62
PMP22 Q01453 1/20 0.62
ADRA2A P08913 2/20 0.53
ADRA1A P35348 2/20 0.53
APEX1 P27695 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
TAAR1 Q96RJ0 3/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
RECQL P46063 2/20 0.47
CYP3A4 P08684 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADRB3 P13945 1/20 0.47
DRD2 P14416 1/20 0.47

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
SCHEMBL27898486 1.00 NFKB1 (0.64) NFKB1BLMPMP22ADRA2AADRA1A
SCHEMBL2065519 1.00 NFKB1 (0.64) NFKB1BLMPMP22ADRA2AADRA1A
Hydrochloric Acid SCHEMBL6760975 0.98 BLM (0.65) NFKB1BLMPMP22ADRA2AADRA1A
Hydrochloric Acid SCHEMBL2065125 0.98 BLM (0.65) NFKB1BLMPMP22ADRA2AADRA1A
SCHEMBL7935123 0.87 NFKB1 (0.69) NFKB1BLMPMP22ADRA2AADRA1A
SCHEMBL2078712 0.87 NFKB1 (0.69) NFKB1BLMPMP22ADRA2AADRA1A
SCHEMBL24015482 0.85 CYP3A4 (0.50) NFKB1BLMPMP22MAPTCYP3A4
SCHEMBL29633151 0.84 NFKB1 (0.75) NFKB1BLMPMP22ADRA2AADRA1A
SCHEMBL15921910 0.84 NFKB1 (0.75) NFKB1BLMPMP22ADRA2AADRA1A
SCHEMBL7148550 0.84 NFKB1 (0.75) NFKB1BLMPMP22ADRA2AADRA1A

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-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-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