SCHEMBL7804089

SCHEMBL7804089

O=[N+]([O-])c1ccc2ccn(CC3CCN(Cc4ccco4)C3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.44
ACHE P22303 2/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
CFTR P13569 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL7805941 0.81 HTR7 (0.53) HTR7ACHEKMT2AMEN1ALDH1A1
SCHEMBL7808706 0.81 ACHE (0.41) HTR7ACHEKMT2AMEN1CFTR
SCHEMBL7808340 0.81 HTR7 (0.52) HTR7ACHEKMT2AMEN1SMN1; SMN2
SCHEMBL7807013 0.80 HTR7 (0.43) HTR7ACHEKMT2AMEN1CFTR
SCHEMBL7804076 0.79 HTR1D (0.44) ALDH1A1SIGMAR1
Hydrochloric Acid SCHEMBL8031070 0.78 HTR1D (0.44) SIGMAR1
SCHEMBL3354696 0.78 HTR7 (0.58) HTR7ACHEALDH1A1MAPTSIGMAR1
SCHEMBL31324652 0.76 HTR7 (0.54) HTR7ACHEMAPTSIGMAR1
SCHEMBL7804112 0.76 CFTR (0.40) ACHEKMT2ACFTRSMN1; SMN2ALDH1A1
SCHEMBL3357957 0.74 HTR7 (0.63) HTR7ACHEALDH1A1SIGMAR1

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