SCHEMBL7806987

SCHEMBL7806987

O=[N+]([O-])c1ccc2ccn(CCCN3CCNCC3)c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.60
KCNJ1 P48048 2/20 0.51
KCNH2 Q12809 1/20 0.51
ALDH1A1 P00352 3/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
SLC6A4 P31645 1/20 0.46
CYP2C19 P33261 1/20 0.46
THPO P40225 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
ADRB1 P08588 1/20 0.44
SIRT6 Q8N6T7 1/20 0.44
LMNA P02545 1/20 0.40

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
SCHEMBL12253756 0.89 HTR7 (0.71) HTR7KCNJ1ALDH1A1LMNA
SCHEMBL12857203 0.88 HTR7 (0.69) HTR7KCNJ1ALDH1A1TDP1KDM4E
SCHEMBL3356709 0.87 HTR7 (0.79) HTR7KCNJ1ALDH1A1
SCHEMBL1122811 0.86 HTR7 (0.64) HTR7KCNJ1ALDH1A1MAPTLMNA
SCHEMBL7804965 0.82 SIGMAR1 (0.62) HTR7KCNJ1KCNH2
SCHEMBL1121934 0.81 HTR7 (0.82) HTR7ALDH1A1LMNA
SCHEMBL1121912 0.80 HTR7 (0.80) HTR7ALDH1A1LMNA
Hydrochloric Acid SCHEMBL4525372 0.80 HTR7 (0.80) HTR7ALDH1A1LMNA
SCHEMBL426296 0.79 HTR7 (0.71) HTR7KCNJ1ALDH1A1MAPTLMNA
SCHEMBL7808734 0.79 MEN1 (0.56) HTR7SLC6A4TDP1MAPTLMNA

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