SCHEMBL353133

SCHEMBL353133

CC(CC(N)=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.54
CYP2C19 P33261 3/20 0.51
FFAR1 O14842 1/20 0.51
HPGD P15428 2/20 0.50
CYP3A4 P08684 1/20 0.50
RAB9A P51151 1/20 0.50
BCHE P06276 1/20 0.49
POLB P06746 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALOX5 P09917 1/20 0.48
AOC3 Q16853 2/20 0.48
ALDH1A1 P00352 2/20 0.47
SLC6A3 Q01959 3/20 0.47
DRD3 P35462 2/20 0.47
LMNA P02545 1/20 0.47
ADORA3 P0DMS8 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
SCHEMBL5988113 1.00 TAAR1 (0.54) TAAR1CYP2C19FFAR1HPGDCYP3A4
SCHEMBL7857 1.00 TAAR1 (0.54) TAAR1CYP2C19FFAR1HPGDCYP3A4
Hydrochloric Acid SCHEMBL27791133 0.98 TAAR1 (0.52) TAAR1CYP2C19FFAR1HPGDCYP3A4
SCHEMBL11489425 0.89 PTGS2 (0.55) TAAR1FFAR1LMNA
Piperidine SCHEMBL27589482 0.85 HPGD (0.47) TAAR1CYP2C19FFAR1HPGDCYP3A4
SCHEMBL988029 0.83 ACHE (0.47) CYP2C19FFAR1HPGDRAB9APOLB
SCHEMBL11399936 0.83 ACHE (0.60) TAAR1CYP2C19FFAR1HPGDCYP3A4
SCHEMBL7398650 0.83 ACHE (0.60) TAAR1CYP2C19FFAR1HPGDCYP3A4
SCHEMBL1149768 0.83 FFAR1 (0.70) TAAR1CYP2C19FFAR1HPGDCYP3A4
SCHEMBL237090 0.83 FFAR1 (0.70) TAAR1CYP2C19FFAR1HPGDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110403930-B Medical application of 5-hydroxyflavone substituted-N-3' methylbenzylacetamide in resisting mycobacterium tuberculosis infection 厦门大学 2022-10-28 CN claimed
EP-3728217-A1 CHROMENOPYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS Ravenna Pharmaceuticals, Inc. (US) 2020-10-28 EP claimed
CN-110403930-A Medical usage of 5- Sunkatol No. 1 substitution-N-3 ' the methylbenzyl acetamide in Killing Mycobacterium Tuberculosis infection UNIV XIAMEN 2019-11-05 CN claimed
CN-108752241-A Acyl group guanidine for treating arthropathy 默克专利股份公司 2018-11-06 CN claimed
CN-107567445-A It can be used as 2 phenyl 3H imidazos [4,5 B] pyridine derivates of mammal EGFR-TK ROR1 activities inhibitor 坎塞拉有限公司 2018-01-09 CN claimed
CN-104152525-B A kind of method that fractionation prepares the phenyl ethylamines of optical voidness R 1 上海同昌生物医药科技有限公司 2017-09-29 CN claimed
CN-104152526-B The method of optical voidness R-1-phenethylamine is prepared in a kind of fractionation 六安佳诺生化科技有限公司 2016-12-07 CN claimed
CN-104131062-B The method of optical voidness S-1-phenethylamine is prepared in a kind of fractionation 陈永军 2016-11-23 CN claimed
CN-104151169-B The method of optical voidness S-1-phenethylamine is prepared in a kind of fractionation 六安佳诺生化科技有限公司 2016-08-24 CN claimed
CN-102666495-A Potassium channel modulators ABBOTT LAB 2012-09-12 CN claimed
CN-101448792-A Compounds that potentiate AMPA receptors and their use in medicine GLAXO GROUP LTD (GB) 2009-06-03 CN claimed
WO-2009023623-A1 HETEROARYL AMIDE ANALOGUES H, LUNDBECK A/S (DK) 2009-02-19 WO claimed
CN-101068772-A N-(3-amino-2-hydroxy-propyl) substituted alkylamide compounds ELAN PHARM INC (US) 2007-11-07 CN claimed
JP-2007513193-A 2007-05-24 JP claimed
EP-1694673-A1 NOVEL THIAZOLE DERIVATES F.HOFFMANN-LA ROCHE AG (CH) 2006-08-30 EP claimed
WO-2005058887-A1 NOVEL THIAZOLE DERIVATES F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO claimed
WO-2005044810-A1 GLYT2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-19 WO claimed
EP-0861072-A2 COMPOSITIONS FOR THE TREATMENT OF BLOOD DISORDERS TRUSTEES OF BOSTON UNIVERSITY (US) 1998-09-02 EP claimed
WO-1996027369-A9 COMPOSITIONS FOR THE TREATMENT OF BLOOD DISORDERS 1996-12-27 WO claimed
WO-1996027369-A2 COMPOSITIONS FOR THE TREATMENT OF BLOOD DISORDERS THE TRUSTEES OF BOSTON UNIVERSITY (US) 1996-09-12 WO claimed