SCHEMBL7965744

SCHEMBL7965744

OC(CCN1CCC(O)(c2cncc3ccccc23)CC1)Oc1cccc2[nH]ccc12

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.36
DRD2 P14416 5/20 0.36
HTR2A P28223 2/20 0.36
HTR7 P34969 2/20 0.36
HTR6 P50406 2/20 0.36
SLC6A4 P31645 3/20 0.36
DRD4 P21917 3/20 0.35
DRD3 P35462 3/20 0.35
SLC6A1 P30531 1/20 0.35
SLC6A12 P48065 1/20 0.35
SLC6A11 P48066 1/20 0.35
SLC6A13 Q9NSD5 1/20 0.35
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33

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
SCHEMBL7962445 0.85 HTR1A (0.42) HTR1AHTR2AHTR7HTR6SLC6A4
SCHEMBL7965741 0.83 HTR1A (0.54) HTR1ASLC6A4ADRB2ADRB1ADRB3
SCHEMBL7964964 0.82 HTR1A (0.47) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7953373 0.81 HTR1A (0.40) HTR1ASLC6A4ADRB2ADRB1ADRB3
SCHEMBL7965737 0.81 HTR1A (0.41) HTR1ADRD2SLC6A4DRD4DRD3
SCHEMBL7953976 0.81 SLC6A2 (0.38) HTR1ADRD2SLC6A4DRD4DRD3
SCHEMBL7965454 0.79 OPRL1 (0.36) HTR1ADRD3SLC6A1SLC6A12SLC6A11
SCHEMBL7965345 0.78 SLC6A1 (0.34) DRD2SLC6A4DRD4DRD3SLC6A1
SCHEMBL7963100 0.76 SLC6A1 (0.34) HTR1ADRD2HTR2AHTR6SLC6A4
SCHEMBL8139378 0.76 SLC6A1 (0.34) HTR1ADRD2HTR2AHTR6SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242450-B1 SUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY 2001-06-05 US disclosed
WO-2000006166-A1 5-HT1F ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
EP-0976746-A1 5-HT1F antagonists ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed
EP-0976747-A2 Use of 5HT-1F receptor antagonists for treating anxiety disorders ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed