SCHEMBL8553620

SCHEMBL8553620

CC(C)(C)CN1CCC(c2coc3ccc(NC(=O)CCCCOc4ccccc4)cc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 16/20 0.46
HTR2A P28223 16/20 0.46
DRD3 P35462 16/20 0.46
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HTR1D P28221 2/20 0.42
HTR1B P28222 2/20 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
SCHEMBL8548534 0.95 DRD2 (0.48) DRD2HTR2ADRD3MAPT
SCHEMBL8553701 0.84 BCHE (0.43) MAPTALOX15L3MBTL1HTR1DHTR1B
SCHEMBL7478444 0.84 HTR1D (0.63) DRD2HTR1DHTR1B
SCHEMBL8548196 0.83 DRD2 (0.52) DRD2HTR2ADRD3
SCHEMBL8708281 0.79 DRD2 (0.45) DRD2HTR2ADRD3
SCHEMBL7484304 0.79 HTR1D (0.58) DRD2HTR1DHTR1B
SCHEMBL8387125 0.76 RAB9A (0.42) DRD2HTR2ADRD3MAPTALOX15
SCHEMBL8550257 0.76 DRD2 (0.54) DRD2HTR2ADRD3HTR1DHTR1B
SCHEMBL30909276 0.76 RAB9A (0.42) DRD2HTR2ADRD3MAPTALOX15
SCHEMBL8546763 0.76 HTR1D (0.45) DRD2HTR2ADRD3HTR1DHTR1B

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