SCHEMBL8548555

SCHEMBL8548555

CCCN1CCC(c2coc3ccc(NC(=O)N(C(=O)OC(C)CC)c4ccccc4)cc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.48
SLC6A4 P31645 1/20 0.48
HTR2A P28223 19/20 0.45
DRD3 P35462 19/20 0.45

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
SCHEMBL30909273 0.85 HTR1D (0.49) DRD2
SCHEMBL7489665 0.85 HTR1D (0.49) DRD2
SCHEMBL8547950 0.85 DRD2 (0.57) DRD2SLC6A4HTR2ADRD3
SCHEMBL8548624 0.81 DRD2 (0.47) DRD2SLC6A4HTR2ADRD3
SCHEMBL8703395 0.79 DRD2 (0.61) DRD2SLC6A4HTR2ADRD3
SCHEMBL8550901 0.79 DRD2 (0.51) DRD2SLC6A4HTR2ADRD3
SCHEMBL8551606 0.78 DRD2 (0.51) DRD2SLC6A4HTR2ADRD3
SCHEMBL8549544 0.77 DRD2 (0.49) DRD2SLC6A4HTR2ADRD3
SCHEMBL8547948 0.76 DRD2 (0.56) DRD2SLC6A4HTR2ADRD3
SCHEMBL8547782 0.75 DRD2 (0.41) 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 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