SCHEMBL8551485

SCHEMBL8551485

CCCCCCNC(=O)Nc1ccc2occ(C3CCN(CCC)CC3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.52
SLC6A4 P31645 1/20 0.52
CCR2 P41597 1/20 0.48
HTR2A P28223 12/20 0.48
DRD3 P35462 12/20 0.48
EPHX2 P34913 1/20 0.46
EPHX1 P07099 4/20 0.44

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
SCHEMBL8552832 0.89 DRD2 (0.52) DRD2SLC6A4CCR2HTR2ADRD3
SCHEMBL8550671 0.85 DRD2 (0.56) DRD2HTR2ADRD3
SCHEMBL8703395 0.85 DRD2 (0.61) DRD2SLC6A4HTR2ADRD3
SCHEMBL8703719 0.84 DRD2 (0.53) DRD2SLC6A4HTR2ADRD3
SCHEMBL8707882 0.83 DRD2 (0.54) DRD2SLC6A4HTR2ADRD3
SCHEMBL8551095 0.83 DRD2 (0.48) DRD2SLC6A4HTR2ADRD3
SCHEMBL8550541 0.82 DRD2 (0.52) DRD2SLC6A4CCR2EPHX2EPHX1
SCHEMBL8548439 0.82 DRD2 (0.48) DRD2SLC6A4HTR2ADRD3EPHX2
SCHEMBL7483512 0.82 CCR2 (0.65) DRD2CCR2
SCHEMBL8552345 0.81 DRD2 (0.54) 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 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