SCHEMBL8549540

SCHEMBL8549540

CCCCCCN1CCC(c2csc3ccc(NC(=O)c4ccsc4)cc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 13/20 0.48
HTR1B P28222 10/20 0.48
DRD2 P14416 2/20 0.48
CHRM2 P08172 1/20 0.48
SLC6A4 P31645 1/20 0.45
ACKR3 P25106 1/20 0.40
HTR1F P30939 3/20 0.39
HTR1A P08908 2/20 0.39
MAPK14 Q16539 1/20 0.39
KCNH2 Q12809 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36

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
SCHEMBL8548938 0.88 HTR1D (0.63) HTR1DHTR1BDRD2CHRM2SLC6A4
SCHEMBL8550766 0.86 HTR1D (0.50) HTR1DHTR1BDRD2CHRM2KDM4E
SCHEMBL8547499 0.85 HTR1D (0.46) HTR1DHTR1BDRD2CHRM2SLC6A4
SCHEMBL8590783 0.85 DRD2 (0.46) HTR1DHTR1BDRD2CHRM2SLC6A4
SCHEMBL7480337 0.85 HTR1D (0.69) HTR1DHTR1BDRD2CHRM2HTR1F
SCHEMBL7486890 0.84 HTR1D (0.67) HTR1DHTR1BDRD2CHRM2HTR1F
SCHEMBL8552647 0.84 DRD2 (0.46) HTR1DHTR1BDRD2CHRM2SLC6A4
SCHEMBL8548023 0.83 DRD2 (0.50) HTR1DHTR1BDRD2CHRM2SLC6A4
SCHEMBL8546639 0.83 SMN1; SMN2 (0.48) HTR1DHTR1BDRD2CHRM2SLC6A4
SCHEMBL8549937 0.83 DRD2 (0.46) HTR1DHTR1BDRD2CHRM2SLC6A4

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