SCHEMBL8552156

SCHEMBL8552156

CC=CCCNC(=O)Nc1ccc2scc(C3CCN(C(C)CC)CC3)c2c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 9/20 0.34
HTR1B P28222 9/20 0.34
DRD2 P14416 1/20 0.33
SLC6A4 P31645 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
CHRM4 P08173 1/20 0.33
CCR2 P41597 1/20 0.32
BTK Q06187 1/20 0.32
MAPT P10636 1/20 0.32
MTNR1A P48039 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL8552196 0.86 HTR1D (0.34) HTR1DHTR1BDRD2SLC6A4KEAP1
SCHEMBL7489257 0.83 HTR1D (0.54) HTR1DHTR1BDRD2CCR2
SCHEMBL8548389 0.83 DRD2 (0.39) HTR1DHTR1BDRD2MTNR1A
SCHEMBL7489260 0.83 HTR1D (0.54) HTR1DHTR1BDRD2CCR2
SCHEMBL8709053 0.78 DRD2 (0.33) DRD2SLC6A4
SCHEMBL8552203 0.78 CCR2 (0.43) HTR1DHTR1BDRD2SLC6A4CCR2
SCHEMBL8547967 0.78 MAPT (0.46) MAPTKDM4E
SCHEMBL8708863 0.77 UBE2M (0.47)
SCHEMBL8550270 0.75 LMNA (0.42) DRD2SLC6A4CHRM4MAPT
SCHEMBL8704365 0.75 DRD2 (0.42) HTR1DHTR1BDRD2SLC6A4CHRM4

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