SCHEMBL8552426

SCHEMBL8552426

CCCC(C)N1CCC(c2coc3ccc(NC(=O)c4cccc(C#N)c4)cc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 14/20 0.49
ACKR3 P25106 1/20 0.45
CCR2 P41597 1/20 0.42
CNR1 P21554 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
DRD3 P35462 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR1A P08908 1/20 0.41
HTR1B P28222 1/20 0.41
HTR1F P30939 1/20 0.41

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
SCHEMBL8552432 0.85 RORC (0.51) RORCACKR3DRD2HTR2ADRD3
SCHEMBL8552391 0.84 RORC (0.49) RORCACKR3CCR2L3MBTL1HTR1A
SCHEMBL7483530 0.84 RORC (0.68) RORCDRD2HTR1AHTR1BHTR1F
SCHEMBL8551104 0.80 UBE2M (0.46) HTR1AHTR1BHTR1F
SCHEMBL8387441 0.78 RORC (0.51) RORCCNR1
SCHEMBL8548353 0.77 UBE2M (0.40) DRD2HTR2ADRD3
SCHEMBL8703766 0.76 UBE2M (0.44)
Phenyl Propionic Acid SCHEMBL8548350 0.76 UBE2M (0.46)
SCHEMBL8549309 0.76 UBE2M (0.39) DRD2
SCHEMBL8548604 0.76 HTR1F (0.46) DRD2HTR2ADRD3HTR1AHTR1B

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