SCHEMBL7804156

SCHEMBL7804156

c1ccc(CN2CCC(n3ccc4ccc(-n5cnnc5)cc43)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.48
DRD4 P21917 12/20 0.48
DRD3 P35462 12/20 0.48
SLC6A4 P31645 1/20 0.44
HTR1D P28221 2/20 0.42
HTR1B P28222 2/20 0.42
ALDH1A1 P00352 1/20 0.40
ACHE P22303 2/20 0.40
HTR6 P50406 1/20 0.40
BCHE P06276 1/20 0.40
BACE1 P56817 1/20 0.40

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 SCHEMBL8033624 0.99 DRD2 (0.47) DRD2DRD4DRD3SLC6A4HTR1D
SCHEMBL7804925 0.91 DRD2 (0.48) DRD2DRD4DRD3SLC6A4HTR1D
Hydrochloric Acid SCHEMBL8031557 0.90 DRD2 (0.47) DRD2DRD4DRD3SLC6A4HTR1D
SCHEMBL7804305 0.87 HTR1D (0.50) DRD2SLC6A4HTR1DHTR1B
Hydrochloric Acid SCHEMBL8021872 0.86 HTR1D (0.49) DRD2SLC6A4HTR1DHTR1B
SCHEMBL7804169 0.85 HTR1D (0.46) DRD2DRD4SLC6A4HTR1DHTR1B
SCHEMBL7808854 0.84 DRD2 (0.48) DRD2DRD4DRD3SLC6A4ALDH1A1
Hydrochloric Acid SCHEMBL8021805 0.84 HTR1D (0.45) DRD2DRD4SLC6A4HTR1DHTR1B
Hydrochloric Acid SCHEMBL8031499 0.83 DRD2 (0.47) DRD2DRD4DRD3SLC6A4ALDH1A1
SCHEMBL7798179 0.83 HTR1D (0.46) DRD2SLC6A4HTR1DHTR1BALDH1A1

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