SCHEMBL7989782

SCHEMBL7989782

CCCCc1nc(CC(C(=O)OCc2ccccc2)c2ccc3c(c2)OCO3)cn1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 7/20 0.44
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
TSHR P16473 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACE P12821 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
APLNR P35414 1/20 0.36
PRKCZ Q05513 1/20 0.35
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35

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
SCHEMBL7994654 0.98 EDNRA (0.44) EDNRAALDH1A1MAPTTSHRNPC1
SCHEMBL7987522 0.92 EDNRA (0.47) EDNRAALDH1A1MAPTTSHRNPC1
SCHEMBL7986434 0.89 EDNRA (0.41) EDNRAALDH1A1MAPTAPLNR
SCHEMBL7989999 0.87 EDNRA (0.40) EDNRAACE
SCHEMBL7994192 0.87 EDNRA (0.41) EDNRAALDH1A1MAPTAPLNR
SCHEMBL7976015 0.85 EDNRA (0.44) EDNRAALDH1A1MAPTTSHRNPC1
SCHEMBL7986399 0.84 EDNRA (0.42) EDNRAALDH1A1MAPT
SCHEMBL7986645 0.83 TACR1 (0.45) SMN1; SMN2
SCHEMBL7989806 0.81 EDNRA (0.40) EDNRAALDH1A1MAPTACEHRH4
SCHEMBL8810898 0.81 TACR1 (0.47) ALDH1A1MAPTTP53SMN1; SMN2

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