SCHEMBL8548871

SCHEMBL8548871

CCCCCCN1CCC(c2coc3ccc(NC(=S)Nc4cc(I)ccc4Cl)cc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.41
HTR2A P28223 11/20 0.41
DRD3 P35462 11/20 0.41
SLC6A4 P31645 1/20 0.41
CCR2 P41597 1/20 0.37
RAB9A P51151 1/20 0.35
HTR1D P28221 4/20 0.34
HTR1B P28222 3/20 0.34
CHRM2 P08172 1/20 0.34
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 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
SCHEMBL7485929 0.84 HTR1D (0.52) DRD2CCR2HTR1DHTR1BCHRM2
SCHEMBL8707306 0.84 DRD2 (0.52) DRD2HTR2ADRD3SLC6A4
SCHEMBL8709640 0.83 DRD2 (0.53) DRD2HTR2ADRD3SLC6A4
SCHEMBL8549313 0.82 DRD2 (0.47) DRD2HTR2ADRD3SLC6A4RAB9A
SCHEMBL8548017 0.81 DRD2 (0.50) DRD2HTR2ADRD3SLC6A4
SCHEMBL8552345 0.77 DRD2 (0.54) DRD2HTR2ADRD3SLC6A4
SCHEMBL8550671 0.76 DRD2 (0.56) DRD2HTR2ADRD3
SCHEMBL8548019 0.76 DRD2 (0.49) DRD2HTR2ADRD3SLC6A4
SCHEMBL8551530 0.75 DRD2 (0.54) DRD2HTR2ADRD3SLC6A4HTR1D
SCHEMBL7485359 0.75 CCR2 (0.58) DRD2CCR2HTR1DHTR1BCHRM2

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