SCHEMBL8549544

SCHEMBL8549544

CCCCN1CCC(c2coc3ccc(NC(=O)N(C(C)C)C(C)C)cc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 17/20 0.49
HTR2A P28223 16/20 0.49
DRD3 P35462 16/20 0.49
SLC6A4 P31645 1/20 0.47
UBE2M P61081 2/20 0.43
DCUN1D1 Q96GG9 2/20 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
SCHEMBL8551373 0.89 DRD2 (0.49) DRD2HTR2ADRD3SLC6A4UBE2M
SCHEMBL8552345 0.86 DRD2 (0.54) DRD2HTR2ADRD3SLC6A4
SCHEMBL8707882 0.86 DRD2 (0.54) DRD2HTR2ADRD3SLC6A4
SCHEMBL8550901 0.85 DRD2 (0.51) DRD2HTR2ADRD3SLC6A4UBE2M
SCHEMBL8548439 0.84 DRD2 (0.48) DRD2HTR2ADRD3SLC6A4UBE2M
SCHEMBL8703719 0.83 DRD2 (0.53) DRD2HTR2ADRD3SLC6A4
SCHEMBL8546540 0.83 DRD2 (0.51) DRD2HTR2ADRD3SLC6A4
SCHEMBL8551606 0.83 DRD2 (0.51) DRD2HTR2ADRD3SLC6A4UBE2M
SCHEMBL8550182 0.81 DRD2 (0.47) DRD2SLC6A4UBE2MDCUN1D1
SCHEMBL7477419 0.81 HTR1D (0.61) DRD2

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