SCHEMBL8549396

SCHEMBL8549396

CCCCCN1CCC(c2csc3ccc(NC(=S)N(c4ccccc4)c4ccccc4)cc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.49
SLC6A4 P31645 1/20 0.49
BCHE P06276 1/20 0.38
UBE2M P61081 9/20 0.37
DCUN1D1 Q96GG9 9/20 0.37
KCNH2 Q12809 2/20 0.36
HTR1A P08908 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36
CHRM2 P08172 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35

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
SCHEMBL8549392 0.85 DRD2 (0.50) DRD2SLC6A4BCHEKCNH2HTR1A
SCHEMBL8708757 0.85 DRD2 (0.53) DRD2SLC6A4BCHEUBE2MDCUN1D1
SCHEMBL8702974 0.84 DRD2 (0.53) DRD2SLC6A4BCHEUBE2MDCUN1D1
SCHEMBL8547064 0.83 DRD2 (0.46) DRD2SLC6A4BCHEUBE2MDCUN1D1
SCHEMBL8551607 0.83 DRD2 (0.57) DRD2SLC6A4UBE2MDCUN1D1
SCHEMBL8548019 0.83 DRD2 (0.49) DRD2SLC6A4DRD3
SCHEMBL7484443 0.83 HTR1D (0.54) DRD2HTR1ACHRM2HTR1DHTR1B
SCHEMBL8550206 0.82 DRD2 (0.47) DRD2SLC6A4CHRM2HTR1DHTR1B
SCHEMBL8547257 0.82 DRD2 (0.48) DRD2SLC6A4BCHEUBE2MDCUN1D1
SCHEMBL8703019 0.81 DRD2 (0.53) DRD2SLC6A4BCHEUBE2MDCUN1D1

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 2 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
EP-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed