SCHEMBL8552547

SCHEMBL8552547

CCCCN1CCC(c2csc3ccc(NC(=O)c4ccccc4S(C)(=O)=O)cc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.47
SLC6A4 P31645 1/20 0.47
BCAT2 O15382 1/20 0.41
HTR1D P28221 8/20 0.40
HTR1B P28222 5/20 0.39
CHRM2 P08172 1/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
KMT2A Q03164 1/20 0.39
CCR8 P51685 1/20 0.38
UBE2M P61081 3/20 0.37
DCUN1D1 Q96GG9 3/20 0.37
NFATC1 O95644 1/20 0.37
TP53 P04637 1/20 0.37
HRH2 P25021 1/20 0.36
BCHE P06276 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
SCHEMBL8553277 0.87 DRD2 (0.49) DRD2SLC6A4HTR1DHTR1BCHRM2
SCHEMBL8548023 0.86 DRD2 (0.50) DRD2SLC6A4HTR1DHTR1BCHRM2
SCHEMBL8548456 0.84 DRD2 (0.48) DRD2SLC6A4
SCHEMBL7489613 0.84 HTR1D (0.59) DRD2HTR1DHTR1BCHRM2
SCHEMBL8548076 0.84 DRD2 (0.47) DRD2SLC6A4HTR1DHTR1BCHRM2
SCHEMBL8703019 0.83 DRD2 (0.53) DRD2SLC6A4UBE2MDCUN1D1BCHE
SCHEMBL8553560 0.82 DRD2 (0.37) DRD2SLC6A4MAPTMEN1USP2
SCHEMBL8702974 0.80 DRD2 (0.53) DRD2SLC6A4HTR1DHTR1BCHRM2
SCHEMBL8550182 0.80 DRD2 (0.47) DRD2SLC6A4HTR1DHTR1BCHRM2
SCHEMBL8708757 0.79 DRD2 (0.53) DRD2SLC6A4MAPTUBE2MDCUN1D1

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