SCHEMBL7986471

SCHEMBL7986471

COC(=O)C(Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)c1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 6/20 0.54
SIRT2 Q8IXJ6 13/20 0.51
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40

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
SCHEMBL7990492 0.92 SIRT2 (0.44) EDNRASIRT2
SCHEMBL7990137 0.90 MAPK9 (0.46) EDNRASIRT2
SCHEMBL7990231 0.77 NMBR (0.54)
SCHEMBL2000374 0.76 SIRT2 (0.61) SIRT2
SCHEMBL22356512 0.76 SIRT2 (0.61) SIRT2
SCHEMBL1999739 0.75 SIRT2 (0.60) SIRT2
SCHEMBL522051 0.75 SIRT2 (0.60) SIRT2
SCHEMBL10026712 0.75 SIRT2 (0.60) SIRT2
SCHEMBL523065 0.75 SIRT2 (0.60) SIRT2
Hydrochloric Acid SCHEMBL522050 0.74 SIRT2 (0.59) SIRT2

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-6207686-B1 FOR THERAPY OF HYPERTENSION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
EP-0792265-A1 ENDOTHELIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-03 EP disclosed
WO-1996015109-A1 ENDOTHELIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-23 WO disclosed