SCHEMBL6947417

SCHEMBL6947417

NCc1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 1/20 0.73
PSMB5 P28074 1/20 0.73
PSMB2 P49721 1/20 0.73
HRH3 Q9Y5N1 6/20 0.71
LTA4H P09960 12/20 0.67
PTGS1 P23219 1/20 0.64
PTGS2 P35354 1/20 0.64

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
SCHEMBL224640 0.98 PSMB1 (0.76) PSMB1PSMB5PSMB2HRH3LTA4H
SCHEMBL14287622 0.90 HRH3 (0.77) HRH3
SCHEMBL15876472 0.87 LTA4H (0.68) PSMB1PSMB5PSMB2HRH3LTA4H
SCHEMBL15876475 0.87 LTA4H (0.72) PSMB1PSMB5PSMB2HRH3LTA4H
SCHEMBL23291141 0.85 PSMB1 (0.71) PSMB1PSMB5PSMB2HRH3LTA4H
SCHEMBL113404 0.85 LTA4H (0.69) HRH3LTA4H
SCHEMBL15876462 0.85 PSMB1 (0.71) PSMB1PSMB5PSMB2HRH3LTA4H
SCHEMBL4283657 0.84 KDM4E (0.74) LTA4H
SCHEMBL23291204 0.83 LTA4H (0.68) PSMB1PSMB5PSMB2HRH3LTA4H
SCHEMBL4286569 0.83 KDM4E (0.72) PSMB1PSMB5PSMB2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019047-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2003-11-05 EP disclosed
US-6541499-B1 Antithrombotic agents ELI LILLY AND COMPANY 2003-04-01 US disclosed
EP-1019047-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2001-06-13 EP disclosed
EP-1019047-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
WO-1998048800-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed
EP-0306827-B1 AMIDE COMPOUNDS, PROCESS FOR PREPARING THE SAME, AND COMPOSITION FOR ACTIVATING GASTRIC MOTOR FUNCTION CONTAINING THE SAME Hokuriku Pharmaceutical Co.,Ltd (JP) 1991-09-04 EP disclosed
US-4983633-A Amide compounds, process for preparing the same, and composition for activating gastric motor function containing the same HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1991-01-08 US disclosed
EP-0306827-A1 Amide compounds, process for preparing the same, and composition for activating gastric motor function containing the same Hokuriku Pharmaceutical Co.,Ltd (JP) 1989-03-15 EP disclosed