SCHEMBL7876333

SCHEMBL7876333

COc1ccc(C2CCN(C[C@H](O)COc3cccc4[nH]ccc34)CC2)cc1OC

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 20/20 0.72
SLC6A4 P31645 4/20 0.72

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
SCHEMBL7887617 0.90 HTR1A (0.72) HTR1ASLC6A4
SCHEMBL7883008 0.90 HTR1A (0.72) HTR1ASLC6A4
SCHEMBL7883025 0.89 HTR1A (0.77) HTR1ASLC6A4
SCHEMBL7881095 0.88 HTR1A (0.71) HTR1ASLC6A4
SCHEMBL8871828 0.87 HTR1A (0.72) HTR1ASLC6A4
SCHEMBL7881145 0.87 HTR1A (0.72) HTR1ASLC6A4
SCHEMBL7876541 0.87 HTR1A (0.72) HTR1ASLC6A4
SCHEMBL7884091 0.87 HTR1A (0.71) HTR1ASLC6A4
SCHEMBL7882931 0.86 HTR1A (0.70) HTR1ASLC6A4
SCHEMBL5585157 0.85 HTR1A (0.66) HTR1ASLC6A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6172073-B1 BENZIMIDAZOLYLOXY ALKANAMINES AS SEROTONIN REUPTAKE INHIBITORS; NICOTINE AND TOBACCO WITHDRAWAL; PSYCHOLOGICAL, EATING, BRAIN, GASTROINTESTINAL, SLEEP, AND SEXUAL DISORDERS ELI LILLY AND COMPANY 2001-01-09 US disclosed
US-5789402-A Compounds having effects on serotonin-related systems ELI LILLY COMPANY (US) 1998-08-04 US disclosed
US-5741789-A HETERO-OXY ALKANAMINES ELI LILLY AND COMPANY (US) 1998-04-21 US disclosed
US-5627196-A ANTIDEPRESSANTS AND ANTISEROTONIN AGENTS ELI LILLY AND COMPANY (US) 1997-05-06 US disclosed
US-5614523-A INDOLYLOXY COMPOUNDS ELI LILLY AND COMPANY (US) 1997-03-25 US disclosed
US-5576321-A ALKOXY-SUBSTITUTED INDOLES ELI LILLY AND COMPANY (US) 1996-11-19 US disclosed
EP-0722941-A2 Compounds having effects on serotonin-related systems ELI LILLY AND COMPANY (US) 1996-07-24 EP disclosed