SCHEMBL7987457

SCHEMBL7987457

O=C(O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](c1ccc2c(c1)OCO2)[C@H](O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ACE P12821 2/20 0.55
ECE1 P42892 9/20 0.55

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
SCHEMBL7989694 1.00 MAPK1 (0.57) MAPK1SMN1; SMN2ACEECE1
SCHEMBL7987497 0.97 MAPK1 (0.58) MAPK1SMN1; SMN2ACEECE1
SCHEMBL7994202 0.96 ECE1 (0.60) MAPK1SMN1; SMN2ACEECE1
SCHEMBL7990469 0.95 MAPK1 (0.54) MAPK1SMN1; SMN2ACEECE1
SCHEMBL7988097 0.90 ACE (0.59) MAPK1SMN1; SMN2ACEECE1
SCHEMBL7976634 0.90 MAPK1 (0.53) MAPK1SMN1; SMN2ACEECE1
SCHEMBL7986500 0.89 MAPK1 (0.53) MAPK1SMN1; SMN2ACEECE1
SCHEMBL7987502 0.89 MAPK1 (0.58) MAPK1SMN1; SMN2ACEECE1
SCHEMBL7990023 0.89 MAPK1 (0.56) MAPK1SMN1; SMN2ACEECE1
SCHEMBL7990331 0.89 MAPK1 (0.52) MAPK1SMN1; SMN2ACEECE1

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