SCHEMBL7987643

SCHEMBL7987643

Cn1cncc1CC(C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccc2c(c1)OCO2

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ECE1 P42892 11/20 0.51
ACE P12821 2/20 0.49

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
SCHEMBL7975851 0.91 IL1RN (0.48) MAPK1SMN1; SMN2
SCHEMBL7993356 0.85 ECE1 (0.59) MAPK1SMN1; SMN2ECE1ACE
SCHEMBL8809326 0.83 SMN1; SMN2 (0.53) MAPK1SMN1; SMN2ECE1ACE
Hydrochloric Acid SCHEMBL7975805 0.82 ECE1 (0.53) MAPK1SMN1; SMN2ECE1ACE
SCHEMBL7988097 0.79 ACE (0.59) MAPK1SMN1; SMN2ECE1ACE
SCHEMBL7987497 0.79 MAPK1 (0.58) MAPK1SMN1; SMN2ECE1ACE
Hydrochloric Acid SCHEMBL7989902 0.79 MAPK1 (0.49) MAPK1SMN1; SMN2ECE1ACE
SCHEMBL7986305 0.79 MAPK1 (0.56) MAPK1SMN1; SMN2ECE1
SCHEMBL7987502 0.78 MAPK1 (0.58) MAPK1SMN1; SMN2ECE1ACE
SCHEMBL7989694 0.78 MAPK1 (0.57) MAPK1SMN1; SMN2ECE1ACE

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