SCHEMBL7805698

SCHEMBL7805698

O=[N+]([O-])c1ccc2ccn(C3CCN(CC4CCCCC4)CC3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.45
SIGMAR1 Q99720 1/20 0.43
OPRM1 P35372 4/20 0.40
OPRL1 P41146 4/20 0.40
OPRK1 P41145 3/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DRD2 P14416 2/20 0.39
SLC6A4 P31645 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
ACHE P22303 2/20 0.39
CNR2 P34972 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
PKM P14618 1/20 0.37
CYP2C19 P33261 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
SCHEMBL3358021 0.85 HTR7 (0.47) HTR7ALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL3357757 0.83 NPC1 (0.47) HTR7OPRM1OPRL1OPRK1ALDH1A1
SCHEMBL3354104 0.83 DRD2 (0.60) HTR7ALDH1A1MAPTDRD2SLC6A4
SCHEMBL15712191 0.82 HTR7 (0.54) HTR7ALDH1A1NPC1POLBMAPT
SCHEMBL7798214 0.81 ACHE (0.59) SIGMAR1MAPTRAB9ADRD2ACHE
SCHEMBL7808340 0.81 HTR7 (0.52) HTR7SIGMAR1ALDH1A1NPC1POLB
SCHEMBL3355827 0.81 HTR7 (0.42) HTR7ALDH1A1SMN1; SMN2DRD2SLC6A4
SCHEMBL3353280 0.81 HTR7 (0.53) HTR7MAPTDRD2SLC6A4ACHE
SCHEMBL3354826 0.80 HTR7 (0.48) HTR7OPRM1OPRL1ALDH1A1DRD2
SCHEMBL12253684 0.79 HTR7 (0.55) HTR7ALDH1A1NPC1POLBMAPT

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