SCHEMBL8551776

SCHEMBL8551776

CCC(C)C(=O)N(C)c1ccc2occ(C3CCN(CC)CC3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 19/20 0.47
HTR2A P28223 18/20 0.47
DRD3 P35462 18/20 0.47
SLC6A4 P31645 1/20 0.43

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
SCHEMBL8386612 0.83 DRD2 (0.38) DRD2HTR2ADRD3SLC6A4
SCHEMBL7487684 0.80 HTR2A (0.48) DRD2HTR2A
SCHEMBL8547697 0.80 DRD2 (0.43) DRD2HTR2ADRD3SLC6A4
SCHEMBL8551613 0.76 DRD2 (0.47) DRD2HTR2ADRD3SLC6A4
SCHEMBL8707362 0.70 DRD2 (0.41) DRD2HTR2ADRD3SLC6A4
SCHEMBL8695163 0.68 DRD2 (0.38) DRD2HTR2ADRD3SLC6A4
SCHEMBL8551958 0.68 DRD2 (0.57) DRD2HTR2ADRD3
SCHEMBL8584250 0.68 SLC18A3 (0.34) DRD2HTR2A
SCHEMBL8549544 0.67 DRD2 (0.49) DRD2HTR2ADRD3SLC6A4
SCHEMBL8703615 0.66 DRD2 (0.53) DRD2HTR2ADRD3SLC6A4

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