SCHEMBL8548974

SCHEMBL8548974

CCCCCCN1CCC(c2coc3ccc(NC(=O)Oc4cccc(Cl)c4)cc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.45
HTR2A P28223 9/20 0.45
DRD3 P35462 9/20 0.45
SLC6A4 P31645 1/20 0.43
HRH3 Q9Y5N1 4/20 0.43
UBE2M P61081 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
ACHE P22303 4/20 0.41
CCR2 P41597 1/20 0.40

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
SCHEMBL8552288 0.84 DRD2 (0.43) DRD2SLC6A4HRH3UBE2MDCUN1D1
SCHEMBL7489512 0.84 HTR1D (0.57) DRD2CCR2
SCHEMBL30909024 0.84 HTR1D (0.57) DRD2CCR2
SCHEMBL8548355 0.82 DRD2 (0.47) DRD2HTR2ADRD3SLC6A4
SCHEMBL8552841 0.81 KMT2A (0.47) DRD2HTR2ADRD3SLC6A4
SCHEMBL8551530 0.81 DRD2 (0.54) DRD2HTR2ADRD3SLC6A4
SCHEMBL8703719 0.81 DRD2 (0.53) DRD2HTR2ADRD3SLC6A4
SCHEMBL8550671 0.80 DRD2 (0.56) DRD2HTR2ADRD3
SCHEMBL8552345 0.80 DRD2 (0.54) DRD2HTR2ADRD3SLC6A4
SCHEMBL8551604 0.79 UBE2M (0.49) DRD2HTR2ADRD3SLC6A4UBE2M

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