SCHEMBL1387583

SCHEMBL1387583

CCCc1ncc(CC(=O)O)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
GABRR1 P24046 2/20 0.42
CYP3A4 P08684 1/20 0.42
GABRA1 P14867 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
GABRR2 P28476 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
PMP22 Q01453 1/20 0.41
BRS3 P32247 6/20 0.40
HCAR2 Q8TDS4 1/20 0.38
KDM5B Q9UGL1 3/20 0.37
KDM6B O15054 2/20 0.37
KDM4A O75164 2/20 0.37
KDM4D Q6B0I6 2/20 0.37
KDM3B Q7LBC6 2/20 0.37

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
SCHEMBL28286935 0.78 MPO (0.44) TSHRBRS3HCAR2KDM5BKDM5A
SCHEMBL9425091 0.77 BRS3 (0.38) KDM4EPMP22BRS3GLA
SCHEMBL7484552 0.77 GLA (0.39) TSHRBRS3GLA
SCHEMBL7424613 0.76 MMP2 (0.48) ALDH1A1CYP3A4TSHRNFKB1KDM4E
SCHEMBL889033 0.76 HRH4 (0.52) ALDH1A1GABRR1CYP3A4GABRA1TSHR
SCHEMBL7345076 0.75 BRS3 (0.49) BRS3KDM5BKDM6BKDM4AKDM4D
SCHEMBL13187438 0.73 ALDH1A1 (0.47) ALDH1A1GABRR1CYP3A4GABRA1TSHR
Hydrochloric Acid SCHEMBL6618258 0.72 GLA (0.35) TSHRBRS3GLA
SCHEMBL8225111 0.72 AOC3 (0.50) ALDH1A1GABRR1CYP3A4GABRA1TSHR
SCHEMBL28057541 0.71 GPR84 (0.47) ALDH1A1NFKB1MAPTBRS3

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-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
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