SCHEMBL8551613

SCHEMBL8551613

CCN1CCC(c2coc3ccc(N(CC)C(=O)c4ccccc4)cc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 19/20 0.47
SLC6A4 P31645 1/20 0.47
HTR2A P28223 18/20 0.44
DRD3 P35462 18/20 0.44

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
SCHEMBL8386505 0.84 OPRD1 (0.38) DRD2SLC6A4HTR2ADRD3
SCHEMBL7489657 0.81 OPRM1 (0.48) DRD2HTR2A
SCHEMBL8550891 0.81 DRD2 (0.47) DRD2SLC6A4
SCHEMBL8551776 0.76 DRD2 (0.47) DRD2SLC6A4HTR2ADRD3
SCHEMBL8703615 0.74 DRD2 (0.53) DRD2SLC6A4HTR2ADRD3
SCHEMBL8550901 0.72 DRD2 (0.51) DRD2SLC6A4HTR2ADRD3
Hydrochloric Acid SCHEMBL8710593 0.69 CHRM4 (0.42) DRD2SLC6A4HTR2ADRD3
SCHEMBL8551958 0.69 DRD2 (0.57) DRD2HTR2ADRD3
SCHEMBL8547950 0.69 DRD2 (0.57) DRD2SLC6A4HTR2ADRD3
SCHEMBL8551530 0.69 DRD2 (0.54) DRD2SLC6A4HTR2ADRD3

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