SCHEMBL8552196

SCHEMBL8552196

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 6/20 0.34
HTR1B P28222 6/20 0.34
DRD2 P14416 1/20 0.34
SLC6A4 P31645 1/20 0.34
KEAP1 Q14145 3/20 0.33
NFE2L2 Q16236 3/20 0.33
CHRM4 P08173 1/20 0.33
CCR2 P41597 1/20 0.33
MAPT P10636 2/20 0.32
MTNR1A P48039 2/20 0.32
RAF1 P04049 1/20 0.32
HTR1A P08908 1/20 0.31
HTR1F P30939 1/20 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
SCHEMBL8552156 0.86 HTR1D (0.34) HTR1DHTR1BDRD2SLC6A4KEAP1
SCHEMBL8553522 0.86 DRD2 (0.35) HTR1DHTR1BDRD2SLC6A4MAPT
SCHEMBL8552203 0.85 CCR2 (0.43) HTR1DHTR1BDRD2SLC6A4CCR2
SCHEMBL7483248 0.83 HTR1D (0.55) HTR1DHTR1BDRD2CCR2HTR1A
SCHEMBL8704365 0.83 DRD2 (0.42) HTR1DHTR1BDRD2SLC6A4CHRM4
SCHEMBL8552293 0.81 LMNA (0.42) HTR1DHTR1BDRD2SLC6A4MAPT
SCHEMBL8552355 0.79 DRD2 (0.37) HTR1DHTR1BDRD2SLC6A4CHRM4
SCHEMBL8703198 0.79 DRD2 (0.34) DRD2SLC6A4CHRM4
SCHEMBL8548010 0.77 DRD2 (0.40) HTR1DHTR1BDRD2SLC6A4CHRM4
SCHEMBL8553071 0.76 KMT2A (0.47) MAPT

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