SCHEMBL7145461

SCHEMBL7145461

CCCc1cccc([C@@H](O)CN)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.50
NOS1 P29475 2/20 0.47
NOS2 P35228 2/20 0.47
TAAR1 Q96RJ0 4/20 0.44
BLM P54132 3/20 0.44
APEX1 P27695 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
RECQL P46063 2/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADRB3 P13945 1/20 0.44
DRD2 P14416 1/20 0.44
ADRA2B P18089 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
SCHEMBL7149096 0.86 PNMT (0.53) PNMTNOS1NOS2TAAR1BLM
SCHEMBL10891671 0.86 PNMT (0.53) PNMTNOS1NOS2TAAR1BLM
SCHEMBL610331 0.84 PNMT (0.46) PNMTNOS1NOS2TAAR1BLM
SCHEMBL610332 0.84 PNMT (0.46) PNMTNOS1NOS2TAAR1BLM
SCHEMBL7147971 0.83 PNMT (0.50) PNMTNOS1NOS2TAAR1BLM
SCHEMBL27910194 0.82 CNR1 (0.42) NOS1NOS2TAAR1LMNADRD2
SCHEMBL27317287 0.82 PNMT (0.56) PNMTNOS1NOS2TAAR1BLM
SCHEMBL7144095 0.80 PNMT (0.54) PNMTNOS1NOS2TAAR1BLM
SCHEMBL3029503 0.80 KDM4E (0.45) NOS1NOS2TAAR1LMNAKDM4E
SCHEMBL7148584 0.80 PNMT (0.47) PNMTNOS1NOS2TAAR1BLM

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 18 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-5902900-A OPTICAL PURITY, USE AS ANTI-OBESITY AGENTS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-05-11 US disclosed
US-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed
US-5679557-A Process of asymmetrically reducing 1-phenyl-2-oxo-propane derivatives with microorganisms DAICEL CHEMICAL INDUSTRIES, LIMITED (JP) 1997-10-21 US disclosed
US-5629200-A MICROORGANISM DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1997-05-13 US disclosed
EP-0627397-B1 Optically active 1-phenyl-2-substituted propane derivatives and methods of producing the same DAICEL CHEM (JP) 1997-01-02 EP disclosed
US-5508461-A ANTIOBESITY AGENTS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-16 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
EP-0627397-A1 Optically active 1-phenyl-2-substituted propane derivatives and methods of producing the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-07 EP disclosed