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SCHEMBL8807936

SCHEMBL8807936

CCCCCc1nc(CC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OCc2ccccc2)c2ccc3c(c2)OCO3)c(C(=O)OC(C)(C)C)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 4/20 0.45
▸ ERAP2 Q6P179 7/20 0.44
▸ IL1RN P18510 6/20 0.44
▸ ERAP1 Q9NZ08 6/20 0.44
▸ LNPEP Q9UIQ6 3/20 0.42
▸ KLK7 P49862 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ MMP14 P50281 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NMBR P28336 1/20 0.40

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
SCHEMBL8809473 0.98 TACR1 (0.45) TACR1ERAP2IL1RNERAP1LNPEP
SCHEMBL8810904 0.96 TACR1 (0.46) TACR1ERAP2IL1RNERAP1LNPEP
SCHEMBL8807044 0.94 TACR1 (0.47) TACR1ERAP2IL1RNERAP1LNPEP
SCHEMBL8807991 0.93 MAPK1 (0.43) MMP2MMP9MMP8MAPK1SMN1; SMN2
SCHEMBL8807036 0.92 SMN1; SMN2 (0.43) TACR1MMP2MMP9MMP8MAPK1
SCHEMBL8810295 0.91 MAPK1 (0.44) MMP2MMP9MMP8MAPK1SMN1; SMN2
SCHEMBL8809202 0.89 EDNRA (0.40) TACR1ERAP2IL1RNMAPK1
SCHEMBL8807806 0.89 MAPK1 (0.45) MAPK1SMN1; SMN2
SCHEMBL8809082 0.86 EDNRA (0.44) MAPK1SMN1; SMN2
SCHEMBL8807746 0.86 MAPK1 (0.46) MAPK1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0792265-A1 ENDOTHELIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-03 — — EP disclosed