SCHEMBL3835683

SCHEMBL3835683

CCCc1nc(SC2CCC(=CC(=O)O)CC2)c(C(=O)O)n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.74
AGTR1 P30556 5/20 0.38
AGTR2 P50052 5/20 0.38
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

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
SCHEMBL3859122 0.92 EDNRA (0.69) EDNRAAGTR1AGTR2KDM4EALDH1A1
SCHEMBL3837170 0.88 EDNRA (0.58) EDNRAAGTR1AGTR2KDM4EALDH1A1
SCHEMBL3834405 0.87 EDNRA (0.81) EDNRAAGTR1AGTR2KDM4EALDH1A1
SCHEMBL8046901 0.85 EDNRA (0.61) EDNRAAGTR1AGTR2KDM4EALDH1A1
SCHEMBL795817 0.85 EDNRA (1.00) EDNRAAGTR1AGTR2KDM4EALDH1A1
SCHEMBL12994134 0.84 EDNRA (0.88) EDNRAAGTR1AGTR2KDM4EALDH1A1
SCHEMBL7497895 0.83 EDNRA (0.73) EDNRAAGTR1AGTR2KDM4EALDH1A1
SCHEMBL8594668 0.82 EDNRA (0.52) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3835410 0.82 EDNRA (0.84) EDNRAAGTR1AGTR2KDM4EALDH1A1
SCHEMBL3837125 0.82 EDNRA (0.70) EDNRAAGTR1AGTR2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861247-B1 NOVEL IMIDAZOLE N-BENZYLDIOXOL DERIVATIVES, METHOD FOR PREPARING SAME, RESULTING INTERMEDIATES, PHARMACEUTICAL COMPOSITIONS AND USE OF SAID DERIVATIVES AS ENDOTHELIN ANTAGONISTS AVENTIS PHARMA SA (FR) 2009-10-07 EP claimed
US-6143774-A DRUGS AS HYPOTENSIVE AGENTS HOECHST MARION ROUSSEL (FR) 2000-11-07 US claimed
US-6143774-A DRUGS AS HYPOTENSIVE AGENTS HOECHST MARION ROUSSEL (FR) 2000-11-07 US disclosed