SCHEMBL8549417

SCHEMBL8549417

CCCSN(C(=O)Nc1ccc2occ(C3CCN(C(C)C)CC3)c2c1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.39
HTR2A P28223 11/20 0.39
DRD3 P35462 11/20 0.39
SLC6A4 P31645 1/20 0.38
UBE2M P61081 7/20 0.37
DCUN1D1 Q96GG9 7/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL8548758 0.84 DRD2 (0.40) DRD2HTR2ADRD3ALDH1A1
SCHEMBL7486041 0.84 HTR1D (0.50) DRD2
SCHEMBL8550775 0.84 UBE2M (0.38) DRD2SLC6A4UBE2MDCUN1D1ALDH1A1
SCHEMBL8710324 0.80 ALDH1A1 (0.43) DRD2HTR2ADRD3ALDH1A1
SCHEMBL8704542 0.80 ALDH1A1 (0.53) DRD2HTR2ADRD3SLC6A4ALDH1A1
SCHEMBL8547782 0.79 DRD2 (0.41) DRD2HTR2ADRD3SLC6A4UBE2M
SCHEMBL8547950 0.77 DRD2 (0.57) DRD2HTR2ADRD3SLC6A4
SCHEMBL8550901 0.74 DRD2 (0.51) DRD2HTR2ADRD3SLC6A4UBE2M
SCHEMBL8551606 0.74 DRD2 (0.51) DRD2HTR2ADRD3SLC6A4UBE2M
SCHEMBL8552340 0.74 DRD2 (0.47) 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 2 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
EP-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed