SCHEMBL7963898

SCHEMBL7963898

CCCCc1cc2c(OCCCN3CCC(c4cnc5ccccc5c4)CC3)cccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.43
HRH3 Q9Y5N1 2/20 0.41
DRD4 P21917 1/20 0.40
HTR1A P08908 3/20 0.39
HTR1D P28221 3/20 0.39
HTR1B P28222 3/20 0.39
DRD2 P14416 1/20 0.38
SLC6A4 P31645 1/20 0.38
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
EGFR P00533 1/20 0.37
ADRB3 P13945 2/20 0.37
HRH1 P35367 1/20 0.37
KCNH2 Q12809 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36

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
SCHEMBL7965634 0.82 HTR1A (0.47) HRH3DRD4HTR1ASLC6A4
Bromide SCHEMBL7953920 0.70 MAOB (0.43) HRH3DRD2SLC6A4
SCHEMBL7876375 0.69 HTR1A (0.51) HRH3DRD4HTR1ADRD2SLC6A4
SCHEMBL8820444 0.69 ADRB3 (0.43) HRH3DRD4HTR1ADRD2ADRB3
SCHEMBL7966021 0.68 HTR1A (0.47) HTR1ASLC6A4
SCHEMBL7966017 0.67 HTR1A (0.46) HTR1ASLC6A4
SCHEMBL9456721 0.67 HTR3A (0.56) DRD2SLC6A4
Hydrochloric Acid SCHEMBL11071471 0.67 PARP1 (0.46) CHRNA7HRH3DRD4PARP1PARP2
SCHEMBL7884092 0.66 HTR1A (0.51) HRH3HTR1ADRD2SLC6A4
SCHEMBL8688791 0.66 CHRNA7 (0.84) CHRNA7HRH3PARP1PARP2MEN1

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 3 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