SCHEMBL8551233

SCHEMBL8551233

CC(C)(C)CN1CCC(c2coc3ccc(NC(=S)Nc4ccc(C(F)(F)F)cc4)cc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 16/20 0.46
HTR2A P28223 15/20 0.46
DRD3 P35462 15/20 0.46
TRPV1 Q8NER1 1/20 0.40
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
SLC6A4 P31645 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL8708281 0.90 DRD2 (0.45) DRD2HTR2ADRD3SLC6A4
SCHEMBL8548789 0.82 UBE2M (0.39) DRD2TRPV1UBE2MDCUN1D1SLC6A4
SCHEMBL7486843 0.82 HTR1D (0.52) DRD2
SCHEMBL8548196 0.80 DRD2 (0.52) DRD2HTR2ADRD3SLC6A4
SCHEMBL8709640 0.75 DRD2 (0.53) DRD2HTR2ADRD3SLC6A4
SCHEMBL8707306 0.74 DRD2 (0.52) DRD2HTR2ADRD3SLC6A4
SCHEMBL8594882 0.74 DRD2 (0.45) DRD2HTR2ADRD3
SCHEMBL8548017 0.73 DRD2 (0.50) DRD2HTR2ADRD3SLC6A4
SCHEMBL8548534 0.73 DRD2 (0.48) DRD2HTR2ADRD3MEN1KMT2A
SCHEMBL8553620 0.72 DRD2 (0.46) DRD2HTR2ADRD3

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