SCHEMBL8551986

SCHEMBL8551986

CN1CCC(c2coc3ccc(NC(=O)c4ccc(F)cc4)cc23)CC1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 11/20 0.68
HTR1A P08908 7/20 0.68
HTR1D P28221 14/20 0.66
HTR1B P28222 9/20 0.66
DRD2 P14416 2/20 0.52
CHRM2 P08172 1/20 0.52
HTR2A P28223 1/20 0.52
DRD3 P35462 1/20 0.52

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
SCHEMBL8382624 0.83 HTR1F (0.50) HTR1FHTR1AHTR1DHTR1BDRD2
SCHEMBL30909261 0.83 HTR1F (0.50) HTR1FHTR1AHTR1DHTR1BDRD2
Hydrochloric Acid SCHEMBL8546548 0.83 HTR1D (0.60) HTR1FHTR1AHTR1DHTR1BDRD2
SCHEMBL8548237 0.82 MAPT (0.53) HTR1FHTR1AHTR1DHTR1BDRD2
Hydrochloric Acid SCHEMBL8547941 0.81 MTNR1A (0.51) HTR1FHTR1AHTR1DHTR1BDRD2
SCHEMBL8548604 0.81 HTR1F (0.46) HTR1FHTR1AHTR1DHTR1BDRD2
SCHEMBL6911508 0.80 HTR1D (1.00) HTR1FHTR1AHTR1DHTR1BDRD2
SCHEMBL8551958 0.79 DRD2 (0.57) HTR1DHTR1BDRD2CHRM2HTR2A
Hydrochloric Acid SCHEMBL8549247 0.79 TP53 (0.46) HTR1FHTR1AHTR1DHTR1BDRD2
SCHEMBL30909202 0.79 HTR1F (1.00) HTR1FHTR1AHTR1DHTR1BHTR2A

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