SCHEMBL7420850

SCHEMBL7420850

CCCc1c(C(=O)C2CCC2)c2ccc(C(N)=O)cc2n1Cc1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.45
ALOX5AP P20292 1/20 0.39
HTR3A P46098 1/20 0.38
ROCK2 O75116 1/20 0.38
TP53 P04637 1/20 0.37
CACNA1G O43497 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL7415267 0.98 DPP4 (0.45) DPP4ALOX5APHTR3AROCK2TP53
SCHEMBL7429270 0.98 DPP4 (0.45) DPP4ALOX5APHTR3AROCK2TP53
SCHEMBL7425954 0.96 DPP4 (0.45) DPP4ALOX5APHTR3AROCK2TP53
SCHEMBL7426692 0.89 ALOX5AP (0.43) DPP4ALOX5APTP53ALDH1A1LMNA
SCHEMBL7422738 0.87 EDNRA (0.38) DPP4ALDH1A1KDM4E
SCHEMBL7424858 0.87 L3MBTL1 (0.47) DPP4ALOX5APTP53ALDH1A1L3MBTL1
SCHEMBL7421847 0.86 ALOX5AP (0.43) DPP4ALOX5APTP53ALDH1A1MAPT
SCHEMBL7425177 0.86 ALOX5AP (0.45) DPP4ALOX5APTP53ALDH1A1L3MBTL1
SCHEMBL7426188 0.85 EDNRA (0.38) DPP4TP53ALDH1A1MAPTKDM4E
SCHEMBL7420854 0.85 EDNRA (0.38) DPP4TP53ALDH1A1MAPTKDM4E

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-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
WO-1996032379-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-17 WO disclosed