SCHEMBL3353280

SCHEMBL3353280

CN1CCC(n2ccc3ccc([N+](=O)[O-])cc32)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.53
HTR1A P08908 1/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
HTR1F P30939 1/20 0.49
ACHE P22303 1/20 0.44
NOS3 P29474 3/20 0.42
NOS1 P29475 3/20 0.42
NOS2 P35228 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
DRD2 P14416 1/20 0.41
SLC6A4 P31645 1/20 0.41
HRH4 Q9H3N8 4/20 0.41
HIF1A Q16665 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CDC7 O00311 1/20 0.40
PKM P14618 1/20 0.40
MAPT P10636 3/20 0.39

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
SCHEMBL12253684 0.95 HTR7 (0.55) HTR7HTR1AHTR1DHTR1BHTR1F
SCHEMBL3354240 0.90 HTR7 (0.45) HTR7HTR1AHTR1DHTR1BHTR1F
SCHEMBL3354104 0.87 DRD2 (0.60) HTR7HTR1AHTR1DHTR1BHTR1F
SCHEMBL3358021 0.86 HTR7 (0.47) HTR7HTR1AHTR1DHTR1BHTR1F
SCHEMBL3357415 0.86 HTR7 (0.42) HTR7HTR1AHTR1DHTR1BHTR1F
SCHEMBL3355938 0.85 HTR7 (0.52) HTR7HTR1AHTR1DHTR1BHTR1F
SCHEMBL2267614 0.85 NOS3 (0.48) HTR7HTR1AHTR1DHTR1BHTR1F
SCHEMBL3357757 0.85 NPC1 (0.47) HTR7HTR1AHTR1DHTR1BHTR1F
SCHEMBL3352450 0.84 HTR7 (0.45) HTR7NOS3NOS1NOS2CDC7
SCHEMBL3352455 0.84 HTR7 (0.45) HTR7NOS3NOS1NOS2CDC7

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-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed
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