SCHEMBL7470080

SCHEMBL7470080

CCCc1c(C(=O)C(C)C)c2ccc(C(=O)OC)cc2n1Cc1ccccc1Br

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 9/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.38
HPGD P15428 1/20 0.38
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90B1 P14625 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
CNR2 P34972 1/20 0.35
PTGER4 P35408 1/20 0.35
MAPK14 Q16539 1/20 0.35
EGFR P00533 1/20 0.34
SRC P12931 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
SCHEMBL7422342 0.90 S1PR3 (0.42) S1PR3MAPTKDM4EPPARGPPARA
SCHEMBL27485532 0.90 HPGD (0.38) S1PR3PTGDR2HPGDAGTR1AGTR2
SCHEMBL7419910 0.89 AGTR1 (0.46) S1PR3HPGDAGTR1AGTR2KDM4E
SCHEMBL7420331 0.89 S1PR3 (0.41) S1PR3TP53MAPTTHRBKDM4E
SCHEMBL7468201 0.89 MEN1 (0.43) S1PR3PTGDR2AGTR1AGTR2TP53
SCHEMBL7425401 0.89 MAPT (0.43) S1PR3HPGDTP53MAPTKDM4E
SCHEMBL7416292 0.89 S1PR3 (0.46) S1PR3TP53MAPT
SCHEMBL7422125 0.89 AGTR1 (0.39) AGTR1AGTR2CNR2
SCHEMBL7424404 0.88 S1PR3 (0.42) S1PR3TP53MAPTTHRBKDM4E
SCHEMBL7467554 0.86 TSHR (0.43) S1PR3TP53

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