SCHEMBL7942483

SCHEMBL7942483

O=C(O)C1[C@H](c2ccc3c(c2)OCO3)c2ccccc2[C@H]1c1ccc2c(c1)OCO2

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 19/20 0.79
EDNRB P24530 18/20 0.79

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
SCHEMBL7943708 1.00 EDNRA (0.79) EDNRAEDNRB
SCHEMBL7942478 1.00 EDNRA (0.79) EDNRAEDNRB
SCHEMBL7942494 0.97 EDNRA (0.80) EDNRAEDNRB
SCHEMBL8209328 0.93 EDNRA (0.74) EDNRAEDNRB
SCHEMBL7531491 0.92 EDNRA (0.73) EDNRAEDNRB
SCHEMBL8196113 0.89 EDNRA (0.72) EDNRAEDNRB
SCHEMBL7538026 0.89 EDNRA (1.00) EDNRAEDNRB
SCHEMBL6452202 0.89 EDNRA (1.00) EDNRAEDNRB
SCHEMBL6452207 0.89 EDNRA (1.00) EDNRAEDNRB
SCHEMBL7943703 0.88 EDNRB (0.78) EDNRAEDNRB

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
US-6271399-B1 METHYL 3-(3,4-METHYLENEDIOXYPHENYL)-6-(PROP-1-YLOXY)-INDANE-2-CARBOXYLATE DERIVATIVES SMITHKLINE BEECHAM CORPORATION 2001-08-07 US disclosed
US-5719183-A HYPOTENSIVE AGENTS; KIDNEY DISEASES; ANTIISCHEMIC AGENTS SMITHKLINE BEECHAM CORPORATION (US) 1998-02-17 US disclosed
US-5719182-A TREATING HYPERTENSION, RENAL FAILURE, CEREBROVASCULAR DISEASE SMITHKLINE BEECHAM CORPORATION (US) 1998-02-17 US disclosed