SCHEMBL1387582

SCHEMBL1387582

CC(C)OC(=O)Cc1cnc[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
NFKB1 P19838 2/20 0.56
CYP3A4 P08684 2/20 0.56
TSHR P16473 2/20 0.56
GABRA1 P14867 1/20 0.56
GABRR1 P24046 1/20 0.56
GABRR2 P28476 1/20 0.56
GABRA5 P31644 1/20 0.56
GABRB2 P47870 1/20 0.56
GABRA4 P48169 1/20 0.56
KDM4E B2RXH2 2/20 0.54
PMP22 Q01453 2/20 0.54
MAPT P10636 1/20 0.54
HRH3 Q9Y5N1 8/20 0.46
HRH4 Q9H3N8 4/20 0.46
MEN1 O00255 1/20 0.46
GLA P06280 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 1/20 0.46
THPO P40225 1/20 0.46

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
SCHEMBL4251397 0.81 ALDH1A1 (0.61) ALDH1A1NFKB1CYP3A4TSHRGABRA1
SCHEMBL27475925 0.78 ALDH1A1 (0.58) ALDH1A1NFKB1CYP3A4TSHRGABRA1
SCHEMBL31377271 0.78 ALDH1A1 (0.58) ALDH1A1NFKB1CYP3A4TSHRGABRA1
SCHEMBL888666 0.77 ALDH1A1 (0.61) ALDH1A1NFKB1CYP3A4TSHRGABRA1
SCHEMBL6434290 0.75 CYP3A4 (0.63) ALDH1A1NFKB1CYP3A4HRH3HRH4
SCHEMBL890227 0.74
SCHEMBL5160600 0.74 TP53 (0.43) TSHRHRH3HRH4MEN1KMT2A
Hydrochloric Acid SCHEMBL28268597 0.74 CYP3A4 (0.61) ALDH1A1NFKB1CYP3A4HRH3HRH4
SCHEMBL8818280 0.74 CYP3A4 (0.73) ALDH1A1NFKB1CYP3A4TSHRGABRA1
SCHEMBL22901902 0.73 ALDH1A1 (0.56) ALDH1A1NFKB1CYP3A4TSHRGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748315-B1 USE OF IMIDAZOLE DERIVATIVES FOR TREATING DISORDERS INVOLVING ANGIOTENSIN RECEPTORS AT1 AND AT2, THESE PRODUCTS, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2004-01-07 EP claimed
JP-H09509926-A 1997-10-07 JP claimed
EP-0748315-A1 USE OF IMIDAZOLE DERIVATIVES FOR TREATING DISORDERS INVOLVING ANGIOTENSIN RECEPTORS AT 1? AND AT 2?, CERTAIN SUCH PRODUCTS, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ROUSSEL UCLAF (FR) 1996-12-18 EP claimed
WO-1995023792-A1 USE OF IMIDAZOLE DERIVATIVES FOR TREATING DISORDERS INVOLVING ANGIOTENSIN RECEPTORS AT1 AND AT2, CERTAIN SUCH PRODUCTS, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ROUSSEL UCLAF (FR) 1995-09-08 WO claimed
EP-0748315-B1 USE OF IMIDAZOLE DERIVATIVES FOR TREATING DISORDERS INVOLVING ANGIOTENSIN RECEPTORS AT1 AND AT2, THESE PRODUCTS, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2004-01-07 EP disclosed
EP-1233015-A1 Use of imidazole derivatives for the treatement of deseases involving the AT1 and AT2s receptors of angiotensine, some of these products, their preparation, their application as medicaments and pharmaceutical compositions containing them Aventis Pharma S.A. (FR) 2002-08-21 EP disclosed
EP-0748314-B1 TETRASUBSTITUTED IMIDAZOLE DERIVATIVES, METHOD FOR PREPARING THE SAME, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AVENTIS PHARMA SA (FR) 2002-05-15 EP disclosed
US-5811445-A ANGIOTENSIN II INHIBITORS ROUSSEL UCLAF (FR) 1998-09-22 US disclosed
EP-0748315-A1 USE OF IMIDAZOLE DERIVATIVES FOR TREATING DISORDERS INVOLVING ANGIOTENSIN RECEPTORS AT 1? AND AT 2?, CERTAIN SUCH PRODUCTS, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ROUSSEL UCLAF (FR) 1996-12-18 EP disclosed
EP-0748314-A1 NOVEL TETRASUBSTITUTED IMIDAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, RESULTING NOVEL INTERMEDIATES, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ROUSSEL UCLAF (FR) 1996-12-18 EP disclosed
WO-1995023791-A1 NOVEL TETRASUBSTITUTED IMIDAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, RESULTING NOVEL INTERMEDIATES, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ROUSSEL UCLAF (FR) 1995-09-08 WO disclosed
WO-1995023792-A1 USE OF IMIDAZOLE DERIVATIVES FOR TREATING DISORDERS INVOLVING ANGIOTENSIN RECEPTORS AT1 AND AT2, CERTAIN SUCH PRODUCTS, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ROUSSEL UCLAF (FR) 1995-09-08 WO disclosed