SCHEMBL7986738

SCHEMBL7986738

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ACE P12821 4/20 0.41
ECE1 P42892 2/20 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
AGTR1 P30556 2/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 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
SCHEMBL7990304 0.94 MEN1 (0.42) MAPK1SMN1; SMN2MEN1KMT2AMMP2
SCHEMBL7976826 0.88 MAPK1 (0.45) MAPK1SMN1; SMN2ACEECE1MEN1
SCHEMBL7986462 0.87 MAPK1 (0.44) MAPK1SMN1; SMN2ACEECE1MEN1
SCHEMBL8807798 0.84 MAPK1 (0.46) MAPK1SMN1; SMN2ACEECE1MEN1
SCHEMBL7990508 0.82 SMN1; SMN2 (0.44) MAPK1SMN1; SMN2MEN1KMT2AMMP2
SCHEMBL7988163 0.82 SMN1; SMN2 (0.44) MAPK1SMN1; SMN2MEN1KMT2AMMP2
SCHEMBL7975989 0.82 EDNRA (0.41) MEN1KMT2AHTT
SCHEMBL7990070 0.82 MAPK1 (0.47) MAPK1SMN1; SMN2ACEECE1MEN1
SCHEMBL7994280 0.82 TACR1 (0.46) MAPK1SMN1; SMN2
SCHEMBL7986645 0.80 TACR1 (0.45) 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 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