SCHEMBL7422738

SCHEMBL7422738

CCCc1c(C(=O)C2CCC2)c2ccc(C(N)=O)cc2n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.38
SLC22A12 Q96S37 1/20 0.37
CHEK2 O96017 1/20 0.37
DPP4 P27487 3/20 0.35
KDM4E B2RXH2 5/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
RECQL P46063 1/20 0.34
KCNH2 Q12809 1/20 0.34
MCHR1 Q99705 1/20 0.34
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7426188 0.98 EDNRA (0.38) EDNRASLC22A12CHEK2DPP4KDM4E
SCHEMBL7420854 0.98 EDNRA (0.38) EDNRASLC22A12CHEK2DPP4KDM4E
SCHEMBL7418953 0.97 EDNRA (0.39) EDNRASLC22A12CHEK2DPP4KDM4E
SCHEMBL7426853 0.88 SLC22A12 (0.40) EDNRASLC22A12CHEK2KDM4EMAPK1
SCHEMBL7420850 0.87 DPP4 (0.45) DPP4KDM4EALDH1A1
SCHEMBL7429270 0.85 DPP4 (0.45) DPP4KDM4EALDH1A1MEN1KMT2A
SCHEMBL7415267 0.85 DPP4 (0.45) DPP4KDM4EALDH1A1MEN1KMT2A
SCHEMBL7427382 0.84 SLC22A12 (0.39) EDNRASLC22A12CHEK2KDM4EMAPK1
SCHEMBL7426123 0.84 SLC22A12 (0.39) EDNRASLC22A12CHEK2MAPK1CYP1A2
SCHEMBL7425954 0.83 DPP4 (0.45) DPP4KDM4EALDH1A1CYP1A2CYP3A4

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 4 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-6069156-A Indole derivatives as cGMP-PDE inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-05-30 US 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