SCHEMBL8550775

SCHEMBL8550775

CCCSN(C(=O)Nc1ccc2scc(C3CCN(C(C)C)CC3)c2c1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 17/20 0.38
DCUN1D1 Q96GG9 17/20 0.38
DRD2 P14416 1/20 0.38
SLC6A4 P31645 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL8548444 0.84 ALDH1A1 (0.39) UBE2MDCUN1D1DRD2SLC6A4ALDH1A1
SCHEMBL7486041 0.84 HTR1D (0.50) DRD2
SCHEMBL8549417 0.84 DRD2 (0.39) UBE2MDCUN1D1DRD2SLC6A4ALDH1A1
SCHEMBL8552356 0.79 DRD2 (0.39) UBE2MDCUN1D1DRD2SLC6A4
SCHEMBL8553042 0.77 UBE2M (0.47) UBE2MDCUN1D1
SCHEMBL8706387 0.77 ALDH1A1 (0.43) UBE2MDCUN1D1DRD2SLC6A4ALDH1A1
SCHEMBL8551607 0.77 DRD2 (0.57) UBE2MDCUN1D1DRD2SLC6A4
SCHEMBL8553830 0.76 DRD2 (0.46) UBE2MDCUN1D1DRD2SLC6A4
SCHEMBL8704365 0.76 DRD2 (0.42) UBE2MDCUN1D1DRD2SLC6A4ALDH1A1
SCHEMBL8708863 0.75 UBE2M (0.47) UBE2MDCUN1D1

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