SCHEMBL8548604

SCHEMBL8548604

CCCC(=O)c1cccc(C(=O)Nc2ccc3occ(C4CCN(C)CC4)c3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 4/20 0.46
HTR1A P08908 2/20 0.46
HTR1D P28221 10/20 0.44
HTR1B P28222 10/20 0.44
DRD2 P14416 7/20 0.44
HTR2A P28223 6/20 0.44
DRD3 P35462 6/20 0.44
SLC6A4 P31645 1/20 0.42

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
SCHEMBL30908921 0.82 HTR1D (0.68) HTR1FHTR1AHTR1DHTR1BDRD2
SCHEMBL8547821 0.82 HTR1D (0.44) HTR1FHTR1AHTR1DHTR1BDRD2
SCHEMBL7485038 0.82 HTR1D (0.68) HTR1FHTR1AHTR1DHTR1BDRD2
SCHEMBL8551986 0.81 HTR1F (0.68) HTR1FHTR1AHTR1DHTR1BDRD2
SCHEMBL8548237 0.80 MAPT (0.53) HTR1FHTR1AHTR1DHTR1BDRD2
SCHEMBL8387124 0.79 TDP1 (0.38) HTR1FHTR1AHTR1DHTR1BDRD2
SCHEMBL8551530 0.79 DRD2 (0.54) HTR1DHTR1BDRD2HTR2ADRD3
SCHEMBL8552841 0.78 KMT2A (0.47) HTR1ADRD2HTR2ADRD3SLC6A4
SCHEMBL8552432 0.78 RORC (0.51) HTR1FHTR1AHTR1DHTR1BDRD2
Hydrochloric Acid SCHEMBL8546548 0.78 HTR1D (0.60) HTR1FHTR1AHTR1DHTR1BDRD2

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