SCHEMBL8552447

SCHEMBL8552447

CCCCCCOc1ccccc1C(=O)Nc1ccc2occ(C3CCN(CCCCC)CC3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.47
HTR2A P28223 11/20 0.47
DRD3 P35462 11/20 0.47
HRH2 P25021 2/20 0.46
SLC6A4 P31645 1/20 0.46
HTR1D P28221 6/20 0.43
HTR1B P28222 5/20 0.43
CHRM2 P08172 1/20 0.43

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
SCHEMBL8551530 0.86 DRD2 (0.54) DRD2HTR2ADRD3SLC6A4HTR1D
SCHEMBL8548355 0.86 DRD2 (0.47) DRD2HTR2ADRD3SLC6A4
SCHEMBL30909094 0.86 KMT2A (0.40) DRD2HTR2ADRD3SLC6A4CHRM2
SCHEMBL8385411 0.86 KMT2A (0.40) DRD2HTR2ADRD3SLC6A4CHRM2
SCHEMBL8549055 0.85 DRD2 (0.51) DRD2HTR2ADRD3SLC6A4
SCHEMBL8547861 0.84 DRD2 (0.50) DRD2HTR2ADRD3SLC6A4
SCHEMBL7483446 0.84 HTR1D (0.63) DRD2HTR1DHTR1BCHRM2
SCHEMBL8546802 0.84 DRD2 (0.49) DRD2HTR2ADRD3SLC6A4
SCHEMBL8551620 0.83 DRD2 (0.48) DRD2HTR2ADRD3SLC6A4HTR1D
SCHEMBL8703719 0.82 DRD2 (0.53) DRD2HTR2ADRD3SLC6A4

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-5792763-A MIGRAINES; ANALGESICS; DISEASES LINKED TO DECREASED NEUROTRANMISSION OF SEROTONIN IN MAMMALS ELI LILLY AND COMPANY (US) 1998-08-11 US disclosed
WO-1998015545-A1 NEW SEROTONIN 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-04-16 WO disclosed
EP-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed