SCHEMBL7804305

SCHEMBL7804305

c1ccc(CCCN2CCC(n3ccc4ccc(-n5cnnc5)cc43)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 14/20 0.50
HTR1B P28222 14/20 0.50
DRD2 P14416 1/20 0.46
SLC6A4 P31645 1/20 0.46
SIGMAR1 Q99720 3/20 0.45

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 SCHEMBL8021872 0.99 HTR1D (0.49) HTR1DHTR1BDRD2SLC6A4SIGMAR1
SCHEMBL7804156 0.87 DRD2 (0.48) HTR1DHTR1BDRD2SLC6A4
Hydrochloric Acid SCHEMBL8033624 0.86 DRD2 (0.47) HTR1DHTR1BDRD2SLC6A4
Hydrochloric Acid SCHEMBL27605387 0.81 POLB (0.47)
SCHEMBL7804925 0.79 DRD2 (0.48) HTR1DHTR1BDRD2SLC6A4
SCHEMBL7802607 0.79 HTR1D (0.47) HTR1DHTR1BDRD2SLC6A4
SCHEMBL7804093 0.78 HTR1D (0.54) HTR1DHTR1BDRD2SIGMAR1
Hydrochloric Acid SCHEMBL8031557 0.78 DRD2 (0.47) HTR1DHTR1BDRD2SLC6A4
Hydrochloric Acid SCHEMBL8033531 0.78 HTR1A (0.46) HTR1DHTR1BDRD2SLC6A4
SCHEMBL7804169 0.78 HTR1D (0.46) HTR1DHTR1BDRD2SLC6A4SIGMAR1

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
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 claimed
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