SCHEMBL7798296

SCHEMBL7798296

c1cc2ccn(CC3CCN(CC4CCCCC4)C3)c2cc1-n1cnnc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.40
HTR1D P28221 9/20 0.38
HTR1B P28222 9/20 0.38
ACHE P22303 1/20 0.37
CASP1 P29466 1/20 0.36
CASP4 P49662 1/20 0.36
CASP5 P51878 1/20 0.36
KDM2B Q8NHM5 1/20 0.35
HTR6 P50406 1/20 0.34
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
Hydrochloric Acid SCHEMBL8162484 0.99 HTR7 (0.40) HTR7HTR1DHTR1BACHECASP1
Hydrochloric Acid SCHEMBL7805955 0.86 HTR1D (0.38) HTR7HTR1DHTR1BHTR6HTR1A
SCHEMBL7807014 0.83 BRD4 (0.41) HTR1DHTR1BCASP1CASP4CASP5
Hydrochloric Acid SCHEMBL8021907 0.82 BRD4 (0.41) HTR1DHTR1BCASP1CASP4CASP5
SCHEMBL7798170 0.81 DRD2 (0.39) HTR7HTR1DHTR1BACHECASP1
Hydrochloric Acid SCHEMBL8030850 0.80 DRD2 (0.38) HTR7ACHECASP1CASP4CASP5
SCHEMBL7804121 0.80 HTR1D (0.44) HTR1DHTR1BACHEKCNH2
SCHEMBL7804076 0.80 HTR1D (0.44) HTR1DHTR1BHTR1AHTR2A
Hydrochloric Acid SCHEMBL8031070 0.79 HTR1D (0.44) HTR1DHTR1BHTR1AHTR2A
Hydrochloric Acid SCHEMBL8031546 0.79 HTR1D (0.44) HTR1DHTR1BACHEKCNH2

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 2 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
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