SCHEMBL6579996

SCHEMBL6579996

O=Cc1c(Br)nc(-c2ccccc2)n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.38
CACNA1F O60840 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
CACNA1D Q01668 1/20 0.37
CACNA1S Q13698 1/20 0.37
CACNA1C Q13936 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSP90B1 P14625 1/20 0.36
TRAP1 Q12931 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC22A12 Q96S37 1/20 0.36

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
SCHEMBL6582630 0.87 MEN1 (0.40) HSP90AA1CACNA1FOPRM1DRD3OPRD1
SCHEMBL27462058 0.84 TP53 (0.43) HSP90AA1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7505827 0.83 HSP90AA1 (0.39) HSP90AA1CACNA1FOPRM1OPRD1OPRK1
SCHEMBL6582668 0.83 EDNRA (0.43) KDM4EALDH1A1HPGDSMN1; SMN2EDNRA
SCHEMBL6577515 0.82 KDM4E (0.39) HSP90AA1CACNA1FOPRM1DRD3OPRD1
SCHEMBL6580569 0.81 MEN1 (0.39) HSP90AA1CACNA1FOPRM1DRD3OPRD1
SCHEMBL6577282 0.81 KDM4E (0.39) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL6160770 0.78 HSP90AA1 (0.38) HSP90AA1CACNA1FOPRM1OPRD1OPRK1
SCHEMBL6581992 0.78 MEN1 (0.42) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL6164112 0.77 EDNRA (0.49) HSP90AA1CACNA1FOPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804435-B1 NOVEL IMIDAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, NOVEL INTERMEDIATES THUS OBTAINED, MEDICINAL APPLICATIONS OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2004-03-10 EP disclosed
CN-1083838-C Nvel imidazole derivatives, method for preparing same, novel intermediates thus obtained, medicinal applications of same and pharmaceutical compositions containing same ROUSSEL UCLEF (FR) 2002-05-01 CN disclosed
US-5856509-A HYPOTENSIVE AGENTS ROUSSEL UCLAF (FR) 1999-01-05 US disclosed
CN-1159805-A Nvel imidazole derivatives, method for preparing same, novel intermediates thus obtained, medicinal applications of same and pharmaceutical compositions containing same ROUSSEL UCLAF (FR) 1997-09-17 CN disclosed