SCHEMBL8548439

SCHEMBL8548439

CCCCN1CCC(c2coc3ccc(NC(=O)Nc4ccc(F)c(F)c4)cc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.48
HTR2A P28223 11/20 0.48
DRD3 P35462 11/20 0.48
SLC6A4 P31645 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
EPHX2 P34913 1/20 0.44
UBE2M P61081 2/20 0.44
DCUN1D1 Q96GG9 2/20 0.44
HTR1D P28221 2/20 0.43
CHRM2 P08172 1/20 0.42
HTR1B P28222 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
SCHEMBL8707882 0.89 DRD2 (0.54) DRD2HTR2ADRD3SLC6A4
SCHEMBL8703719 0.86 DRD2 (0.53) DRD2HTR2ADRD3SLC6A4
SCHEMBL8549544 0.84 DRD2 (0.49) DRD2HTR2ADRD3SLC6A4UBE2M
SCHEMBL8550671 0.84 DRD2 (0.56) DRD2HTR2ADRD3
SCHEMBL8551604 0.83 UBE2M (0.49) DRD2HTR2ADRD3SLC6A4MEN1
SCHEMBL8551095 0.83 DRD2 (0.48) DRD2HTR2ADRD3SLC6A4
SCHEMBL8703395 0.83 DRD2 (0.61) DRD2HTR2ADRD3SLC6A4
SCHEMBL8551373 0.83 DRD2 (0.49) DRD2HTR2ADRD3SLC6A4UBE2M
SCHEMBL8546540 0.83 DRD2 (0.51) DRD2HTR2ADRD3SLC6A4EPHX2
SCHEMBL8551485 0.82 DRD2 (0.52) DRD2HTR2ADRD3SLC6A4EPHX2

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