SCHEMBL7798236

SCHEMBL7798236

O=[N+]([O-])c1ccc2ccn(CCCO)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.56
POLB P06746 2/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43
CDC7 O00311 1/20 0.42
IRAK4 Q9NWZ3 2/20 0.42
DYRK3 O43781 1/20 0.42
ROCK2 O75116 1/20 0.42
RPS6KA5 O75582 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
CDK1 P06493 1/20 0.42
PHKG2 P15735 1/20 0.42
MARK3 P27448 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CSNK1D P48730 1/20 0.42
CLK2 P49760 1/20 0.42
GSK3B P49841 1/20 0.42
IRAK1 P51617 1/20 0.42
NEK4 P51957 1/20 0.42

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
SCHEMBL1122380 0.91 HTR7 (0.58) HTR7POLBMAPTATMCDC7
SCHEMBL1121948 0.86 HTR7 (0.56) HTR7MAPTCDC7PKMAR
SCHEMBL7806961 0.86 HTR7 (0.56) HTR7MAPTCDC7ARPLG
SCHEMBL12857291 0.86 HTR7 (0.56) HTR7POLBMAPTCDC7PLG
SCHEMBL17023236 0.86 HTR7 (0.59) HTR7MAPTCDC7IRAK4AR
SCHEMBL1121929 0.84 HTR7 (0.55) HTR7MAPTCDC7ARKMO
SCHEMBL4723032 0.84 HTR7 (0.55) HTR7POLBMAPTCDC7AR
SCHEMBL6230447 0.83 PLG (0.46) HTR7POLBMAPTATMPKM
SCHEMBL10923807 0.83 HTR7 (0.51) HTR7IRAK4KMOMCL1CDK4
SCHEMBL15712293 0.82 HTR7 (0.62) HTR7MAPTCDC7AR

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-0902027-B1 Indole and indazole derivatives, process for their preparation and the pharmaceutical compositions containing them ADIR (FR) 2001-07-25 EP disclosed
US-6046205-A FOR TREATMENT OF VENOUS INSUFFICIENCY AND OF ASSOCIATED DISORDERS, AND ALSO IN THE TREATMENT OF MIGRAINE ADIR ET COMPAGNIE (FR) 2000-04-04 US disclosed
US-6020336-A Indole and indazole compounds LES LABORATOIRES SERVIER (FR) 2000-02-01 US disclosed
EP-0902027-A1 Indole and indazole derivatives, process for their preparation and the pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-03-17 EP disclosed