SCHEMBL7976826

SCHEMBL7976826

CCCCc1nc(CC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c2ccc3c(c2)OCO3)cn1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ECE1 P42892 4/20 0.42
ACE P12821 4/20 0.41
BCHE P06276 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL7986462 0.98 MAPK1 (0.44) MAPK1SMN1; SMN2ECE1ACEBCHE
SCHEMBL8807798 0.96 MAPK1 (0.46) MAPK1SMN1; SMN2ECE1ACEMEN1
SCHEMBL7988163 0.94 SMN1; SMN2 (0.44) MAPK1SMN1; SMN2BCHEMEN1KMT2A
SCHEMBL7990508 0.94 SMN1; SMN2 (0.44) MAPK1SMN1; SMN2BCHEMEN1KMT2A
SCHEMBL7990070 0.94 MAPK1 (0.47) MAPK1SMN1; SMN2ECE1ACEMEN1
SCHEMBL7994280 0.93 TACR1 (0.46) MAPK1SMN1; SMN2
SCHEMBL7986645 0.91 TACR1 (0.45) MAPK1SMN1; SMN2
SCHEMBL7989806 0.91 EDNRA (0.40) ACECTSSCTSK
SCHEMBL8810898 0.89 TACR1 (0.47) MAPK1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL7986738 0.88 MAPK1 (0.43) MAPK1SMN1; SMN2ECE1ACEMEN1

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