SCHEMBL8551604

SCHEMBL8551604

CCCCCN1CCC(c2coc3ccc(NC(=O)Nc4cccc(CC)c4)cc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 3/20 0.49
DCUN1D1 Q96GG9 3/20 0.49
DRD2 P14416 12/20 0.48
DRD3 P35462 11/20 0.48
HTR2A P28223 10/20 0.48
SLC6A4 P31645 1/20 0.47
DRD4 P21917 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 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
SCHEMBL8703719 0.91 DRD2 (0.53) DRD2DRD3HTR2ASLC6A4
SCHEMBL8549267 0.89 DRD2 (0.46) DRD2DRD3HTR2ASLC6A4MAPT
SCHEMBL8707882 0.88 DRD2 (0.54) DRD2DRD3HTR2ASLC6A4
SCHEMBL8548622 0.88 DRD2 (0.47) DRD2DRD3HTR2ASLC6A4
SCHEMBL8550671 0.85 DRD2 (0.56) DRD2DRD3HTR2A
SCHEMBL8703395 0.85 DRD2 (0.61) DRD2DRD3HTR2ASLC6A4
SCHEMBL8551620 0.84 DRD2 (0.48) DRD2DRD3HTR2ASLC6A4MAPT
SCHEMBL8703762 0.84 DRD2 (0.47) DRD2DRD3HTR2ASLC6A4
SCHEMBL8548439 0.83 DRD2 (0.48) UBE2MDCUN1D1DRD2DRD3HTR2A
SCHEMBL8552345 0.83 DRD2 (0.54) DRD2DRD3HTR2ASLC6A4

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