SCHEMBL7876342

SCHEMBL7876342

O[C@H](COc1cccc2[nH]ccc12)CN1CCc2ccccc2CC1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 18/20 0.61
SLC6A4 P31645 4/20 0.61
ADRB2 P07550 1/20 0.57
ADRB1 P08588 1/20 0.57
ADRB3 P13945 1/20 0.57
PRMT5 O14744 1/20 0.54
WDR77 Q9BQA1 1/20 0.54

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
SCHEMBL7884182 0.88 HTR1A (0.65) HTR1ASLC6A4
SCHEMBL7885534 0.85 HTR1A (0.60) HTR1ASLC6A4ADRB2ADRB1ADRB3
SCHEMBL7882825 0.85 HTR1A (0.56) HTR1ASLC6A4ADRB2ADRB1ADRB3
SCHEMBL7885729 0.85 HTR1A (0.54) HTR1ASLC6A4ADRB2ADRB1ADRB3
SCHEMBL7887445 0.84 HTR1A (0.62) HTR1ASLC6A4ADRB2ADRB1ADRB3
SCHEMBL7876586 0.84 HTR1A (0.60) HTR1ASLC6A4ADRB2ADRB1ADRB3
SCHEMBL10338769 0.84 ADRB2 (0.68) HTR1ASLC6A4ADRB2ADRB1ADRB3
SCHEMBL6772142 0.83 MAPT (0.59) HTR1ASLC6A4ADRB2ADRB1ADRB3
SCHEMBL7881236 0.83 HTR1A (0.55) HTR1ASLC6A4ADRB2ADRB1ADRB3
SCHEMBL7887653 0.83 HTR1A (0.58) HTR1ASLC6A4ADRB2ADRB1ADRB3

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