SCHEMBL44507

SCHEMBL44507

CC(N)CCc1ccc(O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.63
TAAR1 Q96RJ0 4/20 0.63
ESR1 P03372 2/20 0.54
ESR2 Q92731 1/20 0.54
KDM4E B2RXH2 4/20 0.52
ADRA2A P08913 3/20 0.52
HTR3A P46098 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HTR1A P08908 1/20 0.52
CYP2C19 P33261 1/20 0.52
BACE1 P56817 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KMT2A Q03164 2/20 0.50
OPRK1 P41145 2/20 0.50
BLM P54132 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ADRB2 P07550 2/20 0.49
CA2 P00918 2/20 0.48
SIGMAR1 Q99720 2/20 0.47
TMEM97 Q5BJF2 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
SCHEMBL895572 1.00 SLC6A2 (0.63) SLC6A2TAAR1ESR1ESR2KDM4E
SCHEMBL896162 1.00 SLC6A2 (0.63) SLC6A2TAAR1ESR1ESR2KDM4E
Hydrochloric Acid SCHEMBL25262545 0.98 TAAR1 (0.61) SLC6A2TAAR1ESR1ESR2KDM4E
Hydrochloric Acid SCHEMBL11481635 0.98 TAAR1 (0.61) SLC6A2TAAR1ESR1ESR2KDM4E
1,2-Dichloroethane SCHEMBL27685856 0.92 TAAR1 (0.55) SLC6A2TAAR1ESR1ESR2KDM4E
SCHEMBL5935521 0.83 TRPA1 (0.58) SLC6A2TAAR1ESR1KDM4EADRA2A
Hydrochloric Acid SCHEMBL4745937 0.83 TAAR1 (0.54) SLC6A2TAAR1KDM4EADRA2AHTR1A
Hydrochloric Acid SCHEMBL4748365 0.82 KDM4E (0.57) SLC6A2TAAR1ESR1KDM4EADRA2A
SCHEMBL104626 0.82 ESR1 (0.59) SLC6A2TAAR1ESR1ESR2KDM4E
SCHEMBL13698055 0.80 ESR1 (0.56) SLC6A2TAAR1ESR1ESR2KDM4E

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 344 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116203772-B Proton transfer-based quick response electrochromic device and preparation method thereof 安徽精一门科技发展有限公司 2024-02-13 CN claimed
WO-2023214011-A1 ENZYMATIC METHOD FOR PREPARING (R)-3-AMINO-4-ARYL-BUTANOIC ACID DERIVATIVES ENZYMICALS AG (DE) 2023-11-09 WO claimed
EP-4273254-A1 ENZYMATIC METHOD FOR PREPARING (R)-3-AMINO-4-ARYL-BUTANOIC ACID DERIVATIVES Enzymicals AG (DE) 2023-11-08 EP claimed
CN-116203772-A Proton transfer-based quick response electrochromic device and preparation method thereof 安徽精一门科技发展有限公司 2023-06-02 CN claimed
US-9879293-B2 Enzymatic transamination of cyclopamine analogs INFINITY PHARMACEUTICALS, INC. (US) 2018-01-30 US claimed
US-20160177354-A1 ENZYMATIC TRANSAMINATION OF CYCLOPAMINE ANALOGS SAFC, INC. 2016-06-23 US claimed
EP-2462115-B1 ENZYMATIC TRANSAMINATION OF CYCLOPAMINE ANALOGS INFINITY PHARMACEUTICALS INC (US) 2016-01-06 EP claimed
EP-2744908-A1 ENZYMATIC SYNTHESIS OF OPTICALLY ACTIVE CHIRAL AMINES Embio Limited (IN) 2014-06-25 EP claimed
US-8703448-B2 Enzymatic transamination of cyclopamine analogs INFINITY PHARMACEUTICALS, INC. (US) 2014-04-22 US claimed
US-20140099682-A1 Enzymatic Synthesis of Optically Active Chiral Amines EMBIO LIMITED (IN) 2014-04-10 US claimed
CN-100509754-C Method for synthesizing beta-adrenaline excitant lecdopamine UNIV BEIJING SCIENCE & TECH (CN) 2009-07-08 CN claimed
CN-101016249-A Method of synthesizing beta-adrenaline excitant lecdopamine UNIV BEIJING SCIENCE & TECH (CN) 2007-08-15 CN claimed
CN-1660775-A Method for preparing compound of ractopamine UNIV ZHONGSHAN (CN) 2005-08-31 CN claimed
CN-1557804-A Novel process for preparing ractopamine from p-hydroxyacetophenone and raspberry ketone 清远市华辰实业有限公司 2004-12-29 CN claimed
CN-1165516-C Novel synthesis method of phenylethanolamine feed additive 香港理工大学 2004-09-08 CN claimed
CN-1082042-C Method for synthesizing lecdopamine CHENGDU ORGANIC CHEM INST (CN) 2002-04-03 CN claimed
CN-1073983-C Method for synthesis of beta-adrenomimetic excitant type fodder additive CHENGDU ORGANIC CHEM INST (CN) 2001-10-31 CN claimed
CN-1315318-A Novel synthesis method of phenylethanolamine feed additive HONGKONG SCIENCE AND ENGINEERI (HK) 2001-10-03 CN claimed
CN-1174830-A Method for synthesizing lecdopamine CHENGDU ORGANIC CHEM INST (CN) 1998-03-04 CN claimed
CN-1116620-A Method for synthesis of beta-adrenomimetic excitant type fodder additive CHENGDU ORGANIC CHEM INST (CN) 1996-02-14 CN claimed