SCHEMBL8550206

SCHEMBL8550206

CCCCCN1CCC(c2csc3ccc(NC(=S)NCCC)cc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.47
SLC6A4 P31645 1/20 0.47
RAD52 P43351 5/20 0.42
KDM4E B2RXH2 4/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
DUSP3 P51452 2/20 0.40
PTPN5 P54829 2/20 0.40
PTPN11 Q06124 2/20 0.40
ACHE P22303 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.40
RECQL P46063 1/20 0.39
NPC1 O15118 1/20 0.38
CYP3A4 P08684 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
SCHEMBL8549392 0.86 DRD2 (0.50) DRD2SLC6A4
SCHEMBL8708757 0.86 DRD2 (0.53) DRD2SLC6A4LMNAGAA
SCHEMBL8551116 0.84 DRD2 (0.47) DRD2SLC6A4LMNARAB9AKMT2A
SCHEMBL8547946 0.83 KMT2A (0.41) DRD2SLC6A4RAD52KDM4ELMNA
SCHEMBL8550202 0.83 UBE2M (0.40) DRD2SLC6A4
SCHEMBL8552297 0.82 DRD2 (0.48) DRD2SLC6A4
SCHEMBL8549396 0.82 DRD2 (0.49) DRD2SLC6A4CHRM2HTR1DHTR1B
SCHEMBL8549313 0.81 DRD2 (0.47) DRD2SLC6A4RAD52KDM4ELMNA
SCHEMBL7481656 0.81 HTR1D (0.57) DRD2CHRM2HTR1DHTR1B
SCHEMBL8702974 0.81 DRD2 (0.53) DRD2SLC6A4KDM4ERAB9ANPC1

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