SCHEMBL8547830

SCHEMBL8547830

CCCc1cccc(C(=S)Nc2ccc3occ(C4CCN(CCC)CC4)c3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 19/20 0.52
SLC6A4 P31645 1/20 0.52
HTR2A P28223 18/20 0.44
DRD3 P35462 18/20 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
SCHEMBL30909053 0.83 HTR1D (0.52) DRD2
SCHEMBL7480628 0.83 HTR1D (0.52) DRD2
SCHEMBL8703395 0.77 DRD2 (0.61) DRD2SLC6A4HTR2ADRD3
SCHEMBL8552832 0.76 DRD2 (0.52) DRD2SLC6A4HTR2ADRD3
SCHEMBL8547948 0.76 DRD2 (0.56) DRD2SLC6A4HTR2ADRD3
SCHEMBL8709640 0.75 DRD2 (0.53) DRD2SLC6A4HTR2ADRD3
SCHEMBL8547950 0.74 DRD2 (0.57) DRD2SLC6A4HTR2ADRD3
SCHEMBL8707306 0.74 DRD2 (0.52) DRD2SLC6A4HTR2ADRD3
SCHEMBL8551604 0.74 UBE2M (0.49) DRD2SLC6A4HTR2ADRD3
SCHEMBL8551530 0.74 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