SCHEMBL7994175

SCHEMBL7994175

CCc1nc(CC(C(=O)N2C(=O)OC[C@@H]2C(C)C)c2ccc3c(c2)OCO3)cn1C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.35
IDH1 O75874 2/20 0.34
SCD5 Q86SK9 1/20 0.33
IL6ST P40189 5/20 0.33
OGA O60502 3/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
STAT3 P40763 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
CYP26A1 O43174 1/20 0.31
MAPT P10636 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31

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
SCHEMBL7986613 0.94 EDNRA (0.34) EDNRAIDH1SCD5IL6STHPGD
SCHEMBL7986429 0.93 IL6ST (0.35) EDNRAIDH1SCD5IL6STSTAT3
SCHEMBL7975894 0.92 IL6ST (0.36) EDNRAIDH1SCD5IL6STSTAT3
SCHEMBL7987573 0.83 EDNRA (0.44) EDNRASCD5OGAHPGDKDM4E
SCHEMBL13928771 0.79 IL6ST (0.40) EDNRAIDH1IL6STHPGDKDM4E
SCHEMBL13916990 0.79 IL6ST (0.40) EDNRAIDH1IL6STHPGDKDM4E
SCHEMBL8810786 0.79 EDNRA (0.35) EDNRAIDH1IL6STOGASTAT3
SCHEMBL7987522 0.78 EDNRA (0.47) EDNRAHPGDNPC1RAB9AMAPT
SCHEMBL7986399 0.77 EDNRA (0.42) EDNRASCD5KDM4ECYP26A1MAPT
SCHEMBL8810732 0.76 EDNRA (0.34) EDNRAIDH1IL6STOGASTAT3

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