SCHEMBL7976015

SCHEMBL7976015

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 6/20 0.44
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
APLNR P35414 3/20 0.36
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
PRKCZ Q05513 1/20 0.35
USP2 O75604 1/20 0.34
ALPG P10696 1/20 0.34
ACE P12821 1/20 0.34

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
SCHEMBL7975989 0.89 EDNRA (0.41) EDNRAMAPTALDH1A1APLNRMEN1
SCHEMBL7989782 0.85 EDNRA (0.44) EDNRAMAOBMAOAMAPTALDH1A1
SCHEMBL7994654 0.83 EDNRA (0.44) EDNRAMAOBMAOAMAPTALDH1A1
SCHEMBL7986738 0.78 MAPK1 (0.43) SMN1; SMN2MEN1HTTKMT2AACE
SCHEMBL7990304 0.78 MEN1 (0.42) MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7987522 0.77 EDNRA (0.47) EDNRAMAOBMAOAMAPTALDH1A1
SCHEMBL7986434 0.76 EDNRA (0.41) EDNRAMAPTALDH1A1APLNRKMT2A
SCHEMBL7994192 0.74 EDNRA (0.41) EDNRAMAPTALDH1A1APLNR
SCHEMBL7987491 0.73 EDNRA (0.61) EDNRAMAOBMAOAMAPTALDH1A1
SCHEMBL7986645 0.73 TACR1 (0.45) SMN1; 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