SCHEMBL8551116

SCHEMBL8551116

CCCCN1CCC(c2csc3ccc(NC(=S)Nc4ccc(F)c(F)c4)cc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.47
SLC6A4 P31645 1/20 0.47
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RAB9A P51151 1/20 0.39
HTR1D P28221 8/20 0.39
UBE2M P61081 2/20 0.39
DCUN1D1 Q96GG9 2/20 0.39
HTR1B P28222 5/20 0.39
CHRM2 P08172 1/20 0.39
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
APP P05067 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
SCHEMBL8708757 0.89 DRD2 (0.53) DRD2SLC6A4UBE2MDCUN1D1LMNA
SCHEMBL8550206 0.84 DRD2 (0.47) DRD2SLC6A4KMT2ARAB9AHTR1D
SCHEMBL8549392 0.84 DRD2 (0.50) DRD2SLC6A4
SCHEMBL7489650 0.82 HTR1D (0.60) DRD2HTR1DHTR1BCHRM2
SCHEMBL8703019 0.80 DRD2 (0.53) DRD2SLC6A4RAB9AUBE2MDCUN1D1
SCHEMBL8551732 0.79 FAAH (0.47) DRD2SLC6A4HTR1DUBE2MDCUN1D1
SCHEMBL8550182 0.79 DRD2 (0.47) DRD2SLC6A4HTR1DUBE2MDCUN1D1
SCHEMBL8553349 0.79 DRD2 (0.47) DRD2SLC6A4HTR1DLMNA
SCHEMBL8552559 0.79 DRD2 (0.47) DRD2SLC6A4HTR1DUBE2MDCUN1D1
SCHEMBL8549396 0.78 DRD2 (0.49) DRD2SLC6A4HTR1DUBE2MDCUN1D1

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