SCHEMBL7876327

SCHEMBL7876327

O[C@H](COc1cccc2[nH]ccc12)CN1CCC(Oc2ccccc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.74
DRD4 P21917 4/20 0.74
DRD3 P35462 3/20 0.67
HTR1A P08908 15/20 0.64
SLC6A4 P31645 4/20 0.64
ADRB2 P07550 1/20 0.60
ADRB1 P08588 1/20 0.60
ADRB3 P13945 1/20 0.60

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
Mindodilol SCHEMBL11540170 0.88 ADRB2 (0.63) DRD2DRD4HTR1ASLC6A4ADRB2
Mindodilol SCHEMBL2107921 0.88 ADRB2 (0.63) DRD2DRD4HTR1ASLC6A4ADRB2
SCHEMBL7882931 0.87 HTR1A (0.70) HTR1ASLC6A4
SCHEMBL7884088 0.85 HTR1A (0.63) HTR1ASLC6A4ADRB2ADRB1ADRB3
SCHEMBL7885674 0.85 DRD4 (0.73) DRD2DRD4HTR1ASLC6A4ADRB2
Mindodilol SCHEMBL6295415 0.84 ADRB2 (0.61) HTR1ASLC6A4ADRB2ADRB1ADRB3
SCHEMBL7876342 0.82 HTR1A (0.61) HTR1ASLC6A4ADRB2ADRB1ADRB3
SCHEMBL7881276 0.82 ADRB2 (0.60) DRD2DRD4HTR1ASLC6A4ADRB2
SCHEMBL7881145 0.82 HTR1A (0.72) HTR1ASLC6A4
SCHEMBL8871828 0.82 HTR1A (0.72) 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 8 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
WO-1996022290-A1 COMPOUNDS HAVING EFFECTS ON SEROTONIN-RELATED SYSTEMS ELI LILLY AND COMPANY (US) 1996-07-25 WO disclosed
EP-0722941-A2 Compounds having effects on serotonin-related systems ELI LILLY AND COMPANY (US) 1996-07-24 EP disclosed