SCHEMBL7806989

SCHEMBL7806989

COc1cncnc1N1CCN(CCCn2ncc3ccc([N+](=O)[O-])cc32)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
HTR1A P08908 4/20 0.41
NPC1 O15118 1/20 0.41
GLS O94925 1/20 0.39
ADRA1D P25100 3/20 0.39
ADRA1A P35348 3/20 0.39
ADRA1B P35368 3/20 0.39
PDGFRB P09619 2/20 0.39
KIT P10721 1/20 0.39
PDGFRA P16234 1/20 0.39
FLT3 P36888 1/20 0.39
ALDH1A1 P00352 3/20 0.38
ABCC1 P33527 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
DRD4 P21917 2/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 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
SCHEMBL7805930 0.86 HTR7 (0.51) ACHEBACE1HTR1AADRA1DADRA1A
SCHEMBL7808760 0.85 HTR1A (0.39) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL7804107 0.82 HTR1A (0.36) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL7804132 0.80 ACHE (0.35) ACHEBACE1HTR1AADRA1DADRA1A
Hydrochloric Acid SCHEMBL8031099 0.80 ACHE (0.35) ACHEBACE1HTR1AADRA1DADRA1A
SCHEMBL9435061 0.79 KCNJ1 (0.52) ACHEBACE1ADRA1DADRA1AADRA1B
SCHEMBL7804151 0.77 MCHR1 (0.40) HTR1AADRA1DADRA1AADRA1BALDH1A1
Hydrochloric Acid SCHEMBL8031232 0.76 MCHR1 (0.39) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL4347857 0.76 HTR1A (0.50) HTR1AADRA1DADRA1AADRA1BADRA2A
SCHEMBL3781560 0.73 GLS (0.53) ACHENPC1GLSKMT2AMEN1

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