SCHEMBL7757328

SCHEMBL7757328

O=C(Br)c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 10/20 0.75
PSMB5 P28074 10/20 0.75
PSMB2 P49721 8/20 0.75
LTA4H P09960 2/20 0.69
KDM4E B2RXH2 3/20 0.63
HTT P42858 1/20 0.62
HRH3 Q9Y5N1 2/20 0.60
PTGS2 P35354 1/20 0.59

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
SCHEMBL10827750 0.98 PSMB1 (0.78) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL6597214 0.87 PSMB1 (0.97) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL6442924 0.86 PSMB1 (0.77) PSMB1PSMB5PSMB2LTA4HKDM4E
Hydrochloric Acid SCHEMBL227699 0.84 PSMB1 (0.75) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL1027972 0.84 PSMB1 (0.80) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL3026592 0.84 PSMB1 (0.75) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL2741667 0.84 PSMB1 (0.80) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL6534752 0.84 KDM4E (0.77) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL5685572 0.84 PSMB1 (0.75) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL12193816 0.83 KDM4E (0.80) PSMB1PSMB5PSMB2LTA4HKDM4E

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0693488-B1 An improved process for preparing 3-(4-aminoethoxy-benzoyl)benzo beta -thiophenes LILLY CO ELI (US) 2001-09-19 EP disclosed
EP-0765321-B1 2-AMINO-3-AROYL-BENZO BETA THIOPHENES AND METHOD OF MAKING THE SAME LILLY CO ELI (US) 2001-04-18 EP disclosed
EP-0764150-B1 PRODUCTION OF HYDROXYTHIOACETAMIDES AND USE THEREOF IN THE SYNTHESIS OF BENZOTHIOPHENES LILLY CO ELI (US) 1999-10-27 EP disclosed
US-5792870-A 2-amino-3-aroyl-benzo β!thiophenes and methods for preparing and using same to produce 6-hdyroxy-2-(4-hydroxyphenyl)-3- 4-(2-aminoethoxy)-benzoyl!benzo β!thiophenes ELI LILLY AND COMPANY (US) 1998-08-11 US disclosed
EP-0764150-A4 PRODUCTION OF HYDROXYTHIOACETAMIDES AND USE THEREOF IN THE SYNTHESIS OF BENZOTHIOPHENES LILLY CO ELI (US) 1997-09-10 EP disclosed
EP-0765321-A4 1997-05-02 EP disclosed
EP-0765321-A1 2-AMINO-3-AROYL-BENZO BETA THIOPHENES AND METHOD OF MAKING THE SAME ELI LILLY AND COMPANY (US) 1997-04-02 EP disclosed
EP-0764150-A1 PRODUCTION OF HYDROXYTHIOACETAMIDES AND USE THEREOF IN THE SYNTHESIS OF BENZOTHIOPHENES ELI LILLY AND COMPANY (US) 1997-03-26 EP disclosed
US-5554755-A 2-amino-3-aroyl-benzo[β]thiophenes and methods for preparing and using same to produce 6-hydroxy-2-(4-hydroxyphenyl)-3-[4-(2-aminoethoxy)-benzoyl]benzo[β]thiophenes ELI LILLY AND COMPANY (US) 1996-09-10 US disclosed
US-5523416-A Process for preparing 3-(4-aminoethoxy-benzoyl) benzo (B)-thiophenes ELI LILLY AND COMPANY (US) 1996-06-04 US disclosed
US-5512684-A Process for preparing 3-(4-aminoethoxy-benzoyl) benzo B!-thiophenes ELI LILLY AND COMPANY (US) 1996-04-30 US disclosed
EP-0693488-A1 An improved process for preparing 3-(4-aminoethoxy-benzoyl)benzo beta -thiophenes ELI LILLY AND COMPANY (US) 1996-01-24 EP disclosed
WO-1995034536-A1 PRODUCTION OF HYDROXYTHIOACETAMIDES AND USE THEREOF IN THE SYNTHESIS OF BENZOTHIOPHENES ELI LILLY AND COMPANY (US) 1995-12-21 WO disclosed
WO-1995034557-A1 2-AMINO-3-AROYL-BENZO[β]THIOPHENES AND METHOD OF MAKING THE SAME ELI LILLY AND COMPANY (US) 1995-12-21 WO disclosed
US-5466810-A 2-amino-3-aroyl-benzo[β]thiophenes and methods for preparing and using same to produce 6-hydroxy-2-(4-hydroxyphenyl)-3-[4-(2-aminoethoxy)-benzoyl]benzo[β]thiophenes ELI LILLY AND COMPANY (US) 1995-11-14 US disclosed
US-5420349-A 2-amino-3-aroyl-benzo[β]thiophenes and methods for preparing and using same to produce 6-hydroxy-2-(4-hydroxyphenyl)-3-]benzo[4-(2-aminoethoxy)-benzoyl[β]thiophenes ELI LILLY AND COMPANY (US) 1995-05-30 US disclosed
EP-0062504-B1 PROCESS FOR PREPARING 3-(4-AMINOETHOXYBENZOYL)BENZO(B)THIOPHENES ELI LILLY AND COMPANY (US) 1986-01-02 EP disclosed
US-4358593-A BY ACYLATION OF PROTECTED 6-HYDROXY,2-(4-HYDROXYPHENYL) BENZO (B)THIOPHENE USING A FRIEDEL CRAFTS CATALYSTS; HYDROLYSIS ELI LILLY AND COMPANY (US) 1982-11-09 US disclosed
EP-0062504-A1 Process for preparing 3-(4-aminoethoxybenzoyl)benzo(b)thiophenes ELI LILLY AND COMPANY (US) 1982-10-13 EP disclosed