SCHEMBL7975962

SCHEMBL7975962

COC(=O)C(Cc1cncn1C)c1ccc2c(c1)OCO2

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 5/20 0.56
KMT2A Q03164 2/20 0.42
MCHR1 Q99705 1/20 0.41
MAPK9 P45984 1/20 0.41
CYP26A1 O43174 2/20 0.40
TAS1R3 Q7RTX0 3/20 0.40
TAS1R1 Q7RTX1 3/20 0.40
OGA O60502 2/20 0.39
TP53 P04637 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
MEN1 O00255 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39

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
SCHEMBL7993449 0.88 MAPK9 (0.51) EDNRAKMT2AMCHR1MAPK9CYP26A1
SCHEMBL21656188 0.75 EDNRA (0.62) EDNRAKMT2AMAPK9TAS1R3TAS1R1
SCHEMBL8810457 0.74 EDNRA (0.56) EDNRAKMT2AMAPK9TAS1R3TAS1R1
SCHEMBL7987643 0.74 MAPK1 (0.51)
SCHEMBL7498975 0.72 EDNRA (0.58) EDNRAKMT2AMAPK9TAS1R3TAS1R1
SCHEMBL7986471 0.71 EDNRA (0.54) EDNRAOPRM1OPRD1
SCHEMBL22404286 0.71 EDNRA (0.56) EDNRAKMT2ATAS1R3TAS1R1MEN1
SCHEMBL1746047 0.70 PTGS2 (0.56) EDNRAKMT2ATAS1R3TAS1R1MEN1
SCHEMBL805660 0.70 EDNRA (0.55) EDNRAKMT2ATAS1R3TAS1R1MEN1
SCHEMBL25762086 0.70 CYP11B1 (0.36) KMT2ATP53MEN1

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