SCHEMBL7798170

SCHEMBL7798170

c1cc2ccn(C3CCN(CC4CCCCC4)CC3)c2cc1-n1cnnc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.39
SLC6A4 P31645 1/20 0.39
CASP1 P29466 1/20 0.39
CASP4 P49662 1/20 0.39
CASP5 P51878 1/20 0.39
OPRM1 P35372 5/20 0.37
OPRL1 P41146 5/20 0.37
OPRK1 P41145 4/20 0.37
HTR7 P34969 1/20 0.36
DRD4 P21917 2/20 0.35
DRD3 P35462 2/20 0.35
ACHE P22303 2/20 0.34
CHRM5 P08912 1/20 0.34
ADRA2C P18825 1/20 0.34
OPRD1 P41143 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR1D P28221 1/20 0.33
HTR1B P28222 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 SCHEMBL8030850 0.99 DRD2 (0.38) DRD2SLC6A4CASP1CASP4CASP5
SCHEMBL7798296 0.81 HTR7 (0.40) CASP1CASP4CASP5HTR7ACHE
Hydrochloric Acid SCHEMBL8162484 0.81 HTR7 (0.40) CASP1CASP4CASP5HTR7ACHE
SCHEMBL7804156 0.80 DRD2 (0.48) DRD2SLC6A4DRD4DRD3ACHE
SCHEMBL7802607 0.80 HTR1D (0.47) DRD2SLC6A4OPRM1OPRL1OPRK1
Hydrochloric Acid SCHEMBL8033624 0.79 DRD2 (0.47) DRD2SLC6A4DRD4DRD3ACHE
Hydrochloric Acid SCHEMBL8033531 0.79 HTR1A (0.46) DRD2SLC6A4OPRM1OPRL1OPRK1
SCHEMBL7804305 0.77 HTR1D (0.50) DRD2SLC6A4HTR1DHTR1B
SCHEMBL7804169 0.77 HTR1D (0.46) DRD2SLC6A4DRD4HTR1DHTR1B
SCHEMBL7798179 0.77 HTR1D (0.46) DRD2SLC6A4HTR1DHTR1B

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