SCHEMBL8552432

SCHEMBL8552432

CCCCCN1CCC(c2coc3ccc(NC(=O)c4cccc(C#N)c4)cc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.51
DRD2 P14416 6/20 0.49
HTR2A P28223 4/20 0.49
DRD3 P35462 4/20 0.49
DCUN1D1 Q96GG9 1/20 0.45
SLC6A4 P31645 1/20 0.43
HTR1D P28221 6/20 0.43
HTR1B P28222 6/20 0.43
CHRM2 P08172 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ACKR3 P25106 1/20 0.43
HTR1A P08908 1/20 0.43
HTR1F P30939 1/20 0.43
ADORA2A P29274 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 0.88 DRD2 (0.54) DRD2HTR2ADRD3SLC6A4HTR1D
SCHEMBL8552841 0.87 KMT2A (0.47) DRD2HTR2ADRD3SLC6A4L3MBTL1
SCHEMBL8552426 0.85 RORC (0.49) RORCDRD2HTR2ADRD3HTR1B
SCHEMBL8552401 0.84 RORC (0.51) RORCDRD2DCUN1D1SLC6A4HTR1D
SCHEMBL7483539 0.84 RORC (0.69) RORCDRD2HTR1DHTR1BCHRM2
SCHEMBL8549055 0.82 DRD2 (0.51) DRD2HTR2ADRD3SLC6A4
SCHEMBL8552647 0.82 DRD2 (0.46) DRD2HTR2ADRD3SLC6A4HTR1D
SCHEMBL8548622 0.81 DRD2 (0.47) DRD2HTR2ADRD3SLC6A4
SCHEMBL8552921 0.81 DRD2 (0.49) DRD2HTR2ADRD3SLC6A4HTR1D
SCHEMBL8551620 0.81 DRD2 (0.48) DRD2HTR2ADRD3SLC6A4HTR1D

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