SCHEMBL7807013

SCHEMBL7807013

O=[N+]([O-])c1ccc2ccn(CC3CCN(Cc4ccccn4)C3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
CFTR P13569 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
BRD4 O60885 1/20 0.39
ACHE P22303 1/20 0.39
DRD4 P21917 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
CDC7 O00311 1/20 0.37
HRH1 P35367 1/20 0.37

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
SCHEMBL7805913 0.86 NPC1 (0.43) KDM4EALDH1A1CFTRSMN1; SMN2L3MBTL1
SCHEMBL917196 0.82 BRD4 (0.51) HTR7KDM4EALDH1A1CFTRSMN1; SMN2
SCHEMBL7806978 0.82 KDM4E (0.47) HTR7KDM4EALDH1A1CFTRSMN1; SMN2
SCHEMBL7804893 0.81 HTR7 (0.54) HTR7KDM4EALDH1A1CFTRBRD4
SCHEMBL7805941 0.81 HTR7 (0.53) HTR7KDM4EALDH1A1ACHEMEN1
SCHEMBL7804089 0.80 HTR7 (0.44) HTR7ALDH1A1CFTRSMN1; SMN2ACHE
SCHEMBL7804121 0.80 HTR1D (0.44) KDM4EALDH1A1SMN1; SMN2L3MBTL1BRD4
SCHEMBL7808340 0.80 HTR7 (0.52) HTR7KDM4EALDH1A1SMN1; SMN2ACHE
SCHEMBL7804919 0.79 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2L3MBTL1BRD4
Hydrochloric Acid SCHEMBL8031546 0.79 HTR1D (0.44) KDM4EALDH1A1SMN1; SMN2L3MBTL1BRD4

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