SCHEMBL8549862

SCHEMBL8549862

CCC=CCCOC(=O)Nc1ccc2occ(C3CCN(C(CC)CC)CC3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 17/20 0.38
HTR2A P28223 16/20 0.38
DRD3 P35462 16/20 0.38
MTNR1A P48039 3/20 0.37
MTNR1B P49286 3/20 0.37
SLC6A4 P31645 1/20 0.35
NQO2 P16083 1/20 0.35

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
SCHEMBL8549865 0.86 DRD2 (0.44) DRD2HTR2ADRD3SLC6A4
SCHEMBL7481585 0.83 HTR1D (0.54) DRD2
SCHEMBL8553522 0.83 DRD2 (0.35) DRD2SLC6A4
SCHEMBL8383440 0.82 MTNR1A (0.38) DRD2HTR2ADRD3MTNR1AMTNR1B
SCHEMBL8383438 0.82 MTNR1A (0.38) DRD2HTR2ADRD3MTNR1AMTNR1B
SCHEMBL8552340 0.80 DRD2 (0.47) DRD2HTR2ADRD3MTNR1AMTNR1B
SCHEMBL8547778 0.75 DRD2 (0.41) DRD2HTR2ADRD3SLC6A4
SCHEMBL8547782 0.75 DRD2 (0.41) DRD2HTR2ADRD3SLC6A4
SCHEMBL8551462 0.74 DRD2 (0.53) DRD2HTR2ADRD3SLC6A4
SCHEMBL8551459 0.74 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