SCHEMBL7808340

SCHEMBL7808340

O=[N+]([O-])c1ccc2ccn(CC3CCN(CC4CCCCC4)C3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.52
SIGMAR1 Q99720 1/20 0.42
ACHE P22303 2/20 0.40
KDM2B Q8NHM5 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP19A1 P11511 1/20 0.37
ALDH1A1 P00352 5/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PKM P14618 1/20 0.36
LMNA P02545 2/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP2D6 P10635 1/20 0.36
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL15712191 0.91 HTR7 (0.54) HTR7CYP19A1ALDH1A1NPC1POLB
SCHEMBL7805941 0.88 HTR7 (0.53) HTR7SIGMAR1ACHEMEN1KMT2A
SCHEMBL31324652 0.84 HTR7 (0.54) HTR7SIGMAR1ACHEMAPT
SCHEMBL3354696 0.84 HTR7 (0.58) HTR7SIGMAR1ACHECYP19A1ALDH1A1
SCHEMBL3357957 0.82 HTR7 (0.63) HTR7SIGMAR1ACHEALDH1A1PKM
SCHEMBL7805916 0.82 BRD4 (0.43) HTR7SIGMAR1ACHEMEN1KMT2A
SCHEMBL7805698 0.81 HTR7 (0.45) HTR7SIGMAR1ACHEALDH1A1NPC1
SCHEMBL7804089 0.81 HTR7 (0.44) HTR7SIGMAR1ACHEMEN1KMT2A
SCHEMBL7807013 0.80 HTR7 (0.43) HTR7SIGMAR1ACHEMEN1KMT2A
SCHEMBL7798296 0.77 HTR7 (0.40) HTR7ACHEKDM2B

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 3 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
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