SCHEMBL8549309

SCHEMBL8549309

CCCNC(=S)Nc1ccc2occ(C3CCN(C(C)CCC)CC3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 17/20 0.39
DCUN1D1 Q96GG9 17/20 0.39
DRD2 P14416 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL8548067 0.86 KMT2A (0.41) DRD2SLC6A4
SCHEMBL8549313 0.83 DRD2 (0.47) DRD2SLC6A4
SCHEMBL8549637 0.82 LMNA (0.42) UBE2MDCUN1D1DRD2SLC6A4
SCHEMBL8550202 0.82 UBE2M (0.40) UBE2MDCUN1D1DRD2SLC6A4
SCHEMBL7481645 0.82 HTR1D (0.51) DRD2
SCHEMBL8549356 0.77 DRD2 (0.40) UBE2MDCUN1D1DRD2SLC6A4
SCHEMBL8703766 0.77 UBE2M (0.44) UBE2MDCUN1D1
SCHEMBL8548767 0.77 UBE2M (0.52) UBE2MDCUN1D1
SCHEMBL8552327 0.77 MRGPRX1 (0.42) DRD2SLC6A4
SCHEMBL8551104 0.76 UBE2M (0.46) 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