SCHEMBL7883003

SCHEMBL7883003

Cc1cccc(N2CCN(C[C@H](O)COc3cccc4[nH]ccc34)CC2)c1C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 16/20 0.65
HTR1A P08908 3/20 0.60
LMNA P02545 2/20 0.55
MAPT P10636 2/20 0.55
MAPK1 P28482 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
NR1I2 O75469 1/20 0.55
NR3C1 P04150 1/20 0.55
ADRB1 P08588 1/20 0.55
ADRA2A P08913 1/20 0.55
DRD2 P14416 1/20 0.55
ADRA2B P18089 1/20 0.55
ADRA2C P18825 1/20 0.55
DRD1 P21728 1/20 0.55
ACHE P22303 1/20 0.55
SLC6A2 P23975 1/20 0.55
HRH2 P25021 1/20 0.55
ADRA1D P25100 1/20 0.55
HTR2A P28223 1/20 0.55
SLC6A4 P31645 1/20 0.55

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
SCHEMBL6772142 0.90 MAPT (0.59) HTR1ALMNAMAPTMAPK1TDP1
SCHEMBL7881262 0.89 HTR1A (0.63) HTR1ALMNAADRB1SLC6A4MEN1
Hydrochloric Acid SCHEMBL7887645 0.86 MAPT (0.73) HTR1ALMNAMAPTMAPK1TDP1
Hydrochloric Acid SCHEMBL7885717 0.86 MAPT (0.73) HTR1ALMNAMAPTMAPK1TDP1
Hydrochloric Acid SCHEMBL7885529 0.84 MAPT (0.67) HTR1ALMNAMAPTMAPK1TDP1
SCHEMBL6772718 0.83 MAPT (0.52) HTR1ALMNAMAPTMAPK1TDP1
SCHEMBL8430932 0.83 ABCB1 (0.56) ABCB1HTR1ALMNAMAPTMAPK1
SCHEMBL8433535 0.83 SCN9A (0.56) ABCB1HTR1ALMNAMAPTMAPK1
SCHEMBL7881247 0.83 MAPT (0.54) HTR1ALMNAMAPTMAPK1TDP1
SCHEMBL7876586 0.82 HTR1A (0.60) HTR1ALMNAMAPK1ADRB1SLC6A4

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