SCHEMBL7987859

SCHEMBL7987859

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1)C(Cc1c[nH]cn1)c1ccc2c(c1)OCO2

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IL1RN P18510 3/20 0.49
NMBR P28336 2/20 0.49
ERAP2 Q6P179 2/20 0.49
ERAP1 Q9NZ08 2/20 0.49
LNPEP Q9UIQ6 1/20 0.49
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TACR1 P25103 8/20 0.47
CA2 P00918 1/20 0.46

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
Hydrochloric Acid SCHEMBL7975805 0.90 ECE1 (0.53) MAPK1SMN1; SMN2
SCHEMBL8810555 0.86 TACR1 (0.49) IL1RNNMBRERAP2ERAP1LNPEP
SCHEMBL7990231 0.85 NMBR (0.54) IL1RNNMBRERAP2ERAP1LNPEP
SCHEMBL7975851 0.84 IL1RN (0.48) IL1RNNMBRERAP2ERAP1LNPEP
SCHEMBL7986305 0.83 MAPK1 (0.56) MAPK1SMN1; SMN2
SCHEMBL7993356 0.81 ECE1 (0.59) MAPK1SMN1; SMN2
SCHEMBL7993751 0.81 TACR1 (0.48) IL1RNERAP2ERAP1LNPEPMAPK1
SCHEMBL8810898 0.80 TACR1 (0.47) IL1RNERAP2ERAP1LNPEPMAPK1
SCHEMBL8807044 0.79 TACR1 (0.47) IL1RNERAP2ERAP1LNPEPMAPK1
SCHEMBL7976001 0.79 ERAP2 (0.56) IL1RNERAP2ERAP1LNPEPMAPK1

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