SCHEMBL8552510

SCHEMBL8552510

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.40
SLC6A4 P31645 1/20 0.40
P2RY1 P47900 1/20 0.37
KCNH2 Q12809 1/20 0.37
ADRA1A P35348 2/20 0.36
NAMPT P43490 2/20 0.35
HTR1A P08908 1/20 0.34
UTS2R Q9UKP6 1/20 0.34
CHRM4 P08173 1/20 0.33
HTR1D P28221 2/20 0.33
HTR1B P28222 2/20 0.33
NPY5R Q15761 1/20 0.33

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
SCHEMBL8552507 0.86 DRD2 (0.39) DRD2SLC6A4HTR1DHTR1BNPY5R
SCHEMBL8551514 0.84 ALDH1A1 (0.42) DRD2SLC6A4P2RY1KCNH2
SCHEMBL7478032 0.83 HTR1D (0.53) DRD2HTR1AHTR1DHTR1B
SCHEMBL8551516 0.82 DRD2 (0.40) DRD2SLC6A4P2RY1KCNH2ADRA1A
SCHEMBL8550058 0.80 DRD2 (0.41) DRD2SLC6A4ADRA1ANAMPTHTR1A
SCHEMBL8552124 0.78 DRD2 (0.43) DRD2SLC6A4P2RY1KCNH2NAMPT
SCHEMBL8552297 0.78 DRD2 (0.48) DRD2SLC6A4
SCHEMBL8547871 0.77 HTR1D (0.43) DRD2HTR1AHTR1DHTR1B
SCHEMBL8704937 0.77 DRD2 (0.44) DRD2SLC6A4P2RY1KCNH2NAMPT
SCHEMBL8547896 0.75 DRD2 (0.37) DRD2SLC6A4ADRA1AHTR1DHTR1B

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