SCHEMBL8548938

SCHEMBL8548938

CCCCCCN1CCC(c2csc3ccc(NC(=O)c4ccc(F)cc4)cc23)CC1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 14/20 0.63
HTR1B P28222 11/20 0.63
DRD2 P14416 2/20 0.63
CHRM2 P08172 1/20 0.63
HTR1F P30939 5/20 0.51
HTR1A P08908 3/20 0.51
SLC6A4 P31645 1/20 0.45
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
ACKR3 P25106 1/20 0.42

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
SCHEMBL8550766 0.89 HTR1D (0.50) HTR1DHTR1BDRD2CHRM2MAPT
SCHEMBL8549540 0.88 HTR1D (0.48) HTR1DHTR1BDRD2CHRM2HTR1F
SCHEMBL8547499 0.85 HTR1D (0.46) HTR1DHTR1BDRD2CHRM2HTR1F
SCHEMBL8590783 0.85 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
SCHEMBL8552297 0.83 DRD2 (0.48) DRD2SLC6A4
SCHEMBL7477476 0.83 HTR1D (0.91) HTR1DHTR1BDRD2CHRM2HTR1F
SCHEMBL8552401 0.83 RORC (0.51) HTR1DHTR1BDRD2CHRM2HTR1F

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