SCHEMBL7499877

SCHEMBL7499877

CCCCc1nc(C(=O)O)c(Sc2ccc(OC)cc2)n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 3/20 0.45
EDNRB P24530 2/20 0.39
BRS3 P32247 2/20 0.38
AGTR1 P30556 2/20 0.38
AGTR2 P50052 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 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
SCHEMBL8433794 0.91 EDNRA (0.40) EDNRAEDNRBBRS3AGTR1AGTR2
SCHEMBL7499419 0.90 EDNRA (0.45) EDNRAEDNRBBRS3AGTR1AGTR2
SCHEMBL7501757 0.88 EDNRA (0.55) EDNRAEDNRBBRS3
SCHEMBL7506638 0.85 EDNRA (0.45) EDNRAEDNRBBRS3KDM4EALDH1A1
SCHEMBL8432538 0.81 EDNRA (0.40) EDNRABRS3AGTR1AGTR2
SCHEMBL7496916 0.80 EDNRA (0.54) EDNRAEDNRBBRS3AGTR1AGTR2
SCHEMBL8784161 0.80 BRS3 (0.39) EDNRABRS3
SCHEMBL8431316 0.80 EDNRA (0.52) EDNRAEDNRBBRS3KDM4EALDH1A1
SCHEMBL8431751 0.80 EDNRA (0.48) EDNRAEDNRBBRS3KDM4EALDH1A1
SCHEMBL7501739 0.79 EDNRA (0.47) EDNRAEDNRBBRS3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811444-A IMIDAZOLE DERIVATIVES ROUSSEL UCLAF (FR) 1998-09-22 US claimed
EP-0776325-B1 NOVEL USE AND NOVEL DERIVATIVES OF IMIDAZOLE, METHOD FOR PREPARING SAME, NOVEL INTERMEDIATES THUS OBTAINED, MEDICINAL APPLICATIONS OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2002-11-20 EP disclosed
US-5932741-A TREATING ILLNESSES RESULTING FROM ABNORMAL STIMULATION OF ENDOTHELIN RECEPTORS HOECHST MARION ROUSSEL (FR) 1999-08-03 US disclosed
US-5811444-A IMIDAZOLE DERIVATIVES ROUSSEL UCLAF (FR) 1998-09-22 US disclosed
EP-0776325-A1 NOVEL USE AND NOVEL DERIVATIVES OF IMIDAZOLE, METHOD FOR PREPARING SAME, NOVEL INTERMEDIATES THUS OBTAINED, MEDICINAL APPLICATIONS OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ROUSSEL UCLAF (FR) 1997-06-04 EP disclosed
WO-1996004276-A1 NOVEL USE AND NOVEL DERIVATIVES OF IMIDAZOLE, METHOD FOR PREPARING SAME, NOVEL INTERMEDIATES THUS OBTAINED, MEDICINAL APPLICATIONS OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ROUSSEL UCLAF (FR) 1996-02-15 WO disclosed