SCHEMBL7989999

SCHEMBL7989999

CCCCc1nc(CC(C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)OCc2ccccc2)c2ccc3c(c2)OCO3)cn1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 7/20 0.40
TACR1 P25103 2/20 0.39
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
IL1RN P18510 1/20 0.35
ERAP2 Q6P179 1/20 0.35
ACE P12821 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
ITGA2B P08514 1/20 0.34
ITGB5 P18084 1/20 0.34
CYP3A4 P08684 3/20 0.34
MC4R P32245 1/20 0.34
CCKAR P32238 2/20 0.34
CCKBR P32239 2/20 0.34
OPRD1 P41143 2/20 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
SCHEMBL7989806 0.93 EDNRA (0.40) EDNRACTSSCTSKACEITGB3
SCHEMBL7994280 0.91 TACR1 (0.46) TACR1IL1RNERAP2
SCHEMBL7986645 0.89 TACR1 (0.45) TACR1IL1RNERAP2
SCHEMBL7989782 0.87 EDNRA (0.44) EDNRAACE
SCHEMBL8810898 0.87 TACR1 (0.47) TACR1IL1RNERAP2CYP3A4
SCHEMBL7994654 0.85 EDNRA (0.44) EDNRAACE
SCHEMBL7988163 0.84 SMN1; SMN2 (0.44) TACR1
SCHEMBL7993751 0.84 TACR1 (0.48) TACR1IL1RNERAP2CYP3A4
SCHEMBL7990508 0.84 SMN1; SMN2 (0.44) TACR1
SCHEMBL7976826 0.84 MAPK1 (0.45) CTSSCTSKACE

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 2 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
WO-1996015109-A1 ENDOTHELIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-23 WO disclosed