SCHEMBL7808706

SCHEMBL7808706

O=[N+]([O-])c1ccc2ccn(C3CCN(Cc4ccco4)CC3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
CFTR P13569 1/20 0.39
HTR7 P34969 1/20 0.39
PARP1 P09874 1/20 0.39
DRD2 P14416 1/20 0.38
SLC6A4 P31645 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
LMNA P02545 1/20 0.38
TRPV6 Q9H1D0 1/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 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
SCHEMBL7798214 0.83 ACHE (0.59) ACHEDRD2MAPTTRPV6KMT2A
SCHEMBL7804112 0.82 CFTR (0.40) ACHECFTRPARP1ALDH1A1MAPT
SCHEMBL7804089 0.81 HTR7 (0.44) ACHECFTRHTR7ALDH1A1MAPT
SCHEMBL3358021 0.80 HTR7 (0.47) ACHEHTR7DRD2SLC6A4ALDH1A1
SCHEMBL7806978 0.79 KDM4E (0.47) ACHECFTRHTR7DRD2SLC6A4
SCHEMBL3354104 0.78 DRD2 (0.60) ACHEHTR7DRD2SLC6A4ALDH1A1
SCHEMBL7798179 0.78 HTR1D (0.46) PARP1DRD2SLC6A4ALDH1A1TRPV6
SCHEMBL7805698 0.78 HTR7 (0.45) ACHEHTR7DRD2SLC6A4ALDH1A1
Hydrochloric Acid SCHEMBL8172775 0.77 HTR1D (0.45) PARP1DRD2SLC6A4ALDH1A1LMNA
SCHEMBL3355827 0.77 HTR7 (0.42) ACHEHTR7DRD2SLC6A4ALDH1A1

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