SCHEMBL7422706

SCHEMBL7422706

CCCc1c(C(=O)COC)c2ccc(C(=O)O)cc2n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.41
EDNRA P25101 13/20 0.39
EDNRB P24530 12/20 0.36
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
FABP4 P15090 1/20 0.34

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
SCHEMBL7429126 0.92 MEN1 (0.40) SLC22A12EDNRAALDH1A1MAPK1
SCHEMBL7426123 0.92 SLC22A12 (0.39) SLC22A12EDNRAEDNRBMAPK1
SCHEMBL7424082 0.88 SLC22A12 (0.42) SLC22A12EDNRAEDNRBALDH1A1MAPK1
SCHEMBL8553745 0.83 PPARG (0.36) SLC22A12FABP4
SCHEMBL7423537 0.82 MEN1 (0.40) SLC22A12EDNRAALDH1A1MAPK1
SCHEMBL7420199 0.81 SLC22A12 (0.37) SLC22A12EDNRAEDNRB
SCHEMBL7426853 0.80 SLC22A12 (0.40) SLC22A12EDNRAEDNRBALDH1A1MAPK1
SCHEMBL7425503 0.80 EDNRA (0.41) SLC22A12EDNRAEDNRBALDH1A1MAPK1
SCHEMBL7420896 0.78 LMNA (0.40) ALDH1A1MAPK1
SCHEMBL7418953 0.78 EDNRA (0.39) SLC22A12EDNRAEDNRBALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0820441-B1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2002-06-26 EP disclosed
US-6358992-B1 Method of inhibiting neoplastic cells with indole derivatives CELL PATHWAYS, INC. 2002-03-19 US disclosed
US-6069156-A Indole derivatives as cGMP-PDE inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-05-30 US disclosed
CN-1187812-A Indole derivatives as CGMP-PDE inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 1998-07-15 CN disclosed
EP-0820441-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-28 EP disclosed
WO-1996032379-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-17 WO disclosed