SCHEMBL7429270

SCHEMBL7429270

CCCc1c(C(=O)C2CCCCC2)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
TP53 P04637 1/20 0.39
HTR3A P46098 1/20 0.38
CACNA1G O43497 1/20 0.38
NPC1 O15118 1/20 0.38
ROCK2 O75116 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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 1.00 DPP4 (0.45) DPP4ALOX5APTP53HTR3ACACNA1G
SCHEMBL7420850 0.98 DPP4 (0.45) DPP4ALOX5APTP53HTR3ACACNA1G
SCHEMBL7425954 0.96 DPP4 (0.45) DPP4ALOX5APTP53HTR3AROCK2
SCHEMBL7426692 0.89 ALOX5AP (0.43) DPP4ALOX5APTP53NPC1ALDH1A1
SCHEMBL7420854 0.87 EDNRA (0.38) DPP4TP53ALDH1A1KDM4EMEN1
SCHEMBL7426188 0.87 EDNRA (0.38) DPP4TP53ALDH1A1KDM4EMEN1
SCHEMBL7424858 0.87 L3MBTL1 (0.47) DPP4ALOX5APTP53NPC1ALDH1A1
SCHEMBL7421847 0.86 ALOX5AP (0.43) DPP4ALOX5APTP53ALDH1A1KDM4E
SCHEMBL7425177 0.86 ALOX5AP (0.45) DPP4ALOX5APTP53ALDH1A1L3MBTL1
SCHEMBL7422738 0.85 EDNRA (0.38) DPP4ALDH1A1KDM4EMEN1KMT2A

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 5 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
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