SCHEMBL8552460

SCHEMBL8552460

CCC(C)N1CCC(c2csc3ccc(NS(=O)(=O)CC(C)C)cc23)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.38
SLC6A4 P31645 1/20 0.38
RORC P51449 7/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP17A1 P05093 1/20 0.32
MAPT P10636 1/20 0.32
HTR6 P50406 3/20 0.32
GAK O14976 1/20 0.32
STK16 O75716 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
BMP2K Q9NSY1 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE7A Q13946 1/20 0.32
LRRK2 Q5S007 1/20 0.31
CCR2 P41597 1/20 0.31
BRD4 O60885 2/20 0.31

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
SCHEMBL7488077 0.81 HTR6 (0.49) HTR6CCR2
SCHEMBL8552207 0.81 DRD2 (0.41) DRD2SLC6A4RORC
SCHEMBL8552146 0.79 DRD2 (0.39) DRD2SLC6A4
SCHEMBL8547967 0.76 MAPT (0.46) KDM4EMAPT
SCHEMBL8550474 0.74 DRD2 (0.41) DRD2SLC6A4RORCHTR6GAK
SCHEMBL8552156 0.73 HTR1D (0.34) DRD2SLC6A4KDM4EMAPTCCR2
SCHEMBL8549074 0.73 FAAH (0.39) DRD2SLC6A4
SCHEMBL8552293 0.73 LMNA (0.42) DRD2SLC6A4KDM4EMAPT
SCHEMBL8708863 0.71 UBE2M (0.47)
SCHEMBL8552149 0.71 DRD2 (0.47) DRD2SLC6A4HTR6CCR2

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