SCHEMBL8551288

SCHEMBL8551288

CCCOCCC(=O)Nc1ccc2scc(C3CCN(C(C)C)CC3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 9/20 0.40
HTR1B P28222 9/20 0.40
DRD2 P14416 1/20 0.37
SLC6A4 P31645 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HRH3 Q9Y5N1 4/20 0.36
PDE4B Q07343 1/20 0.35
PDE7A Q13946 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPY5R Q15761 2/20 0.34
F10 P00742 1/20 0.34

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
SCHEMBL8547952 0.86 HTR1D (0.45) HTR1DHTR1BHDAC3HDAC1HDAC6
SCHEMBL8547892 0.85 HTR1D (0.46) HTR1DHTR1BHDAC3HDAC1HDAC6
SCHEMBL8723639 0.84 KDM4E (0.40) HTR1DHTR1BDRD2SLC6A4HRH3
SCHEMBL7483686 0.82 HTR1D (0.62) HTR1DHTR1BDRD2
SCHEMBL8547896 0.80 DRD2 (0.37) HTR1DHTR1BDRD2SLC6A4HRH3
SCHEMBL8552507 0.79 DRD2 (0.39) HTR1DHTR1BDRD2SLC6A4MEN1
SCHEMBL8551242 0.78 MEN1 (0.43) HRH3MEN1MAPTKMT2A
SCHEMBL8547946 0.76 KMT2A (0.41) DRD2SLC6A4KDM4EMEN1LMNA
SCHEMBL8547528 0.76 UBE2M (0.49)
SCHEMBL8552293 0.76 LMNA (0.42) HTR1DHTR1BDRD2SLC6A4KDM4E

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