SCHEMBL8552507

SCHEMBL8552507

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.39
SLC6A4 P31645 1/20 0.39
NPY5R Q15761 1/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HTR1D P28221 9/20 0.38
HTR1B P28222 9/20 0.38
TP53 P04637 1/20 0.37
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL8552510 0.86 DRD2 (0.40) DRD2SLC6A4NPY5RHTR1DHTR1B
SCHEMBL7478029 0.83 HTR1D (0.58) DRD2HTR1DHTR1B
SCHEMBL8551514 0.82 ALDH1A1 (0.42) DRD2SLC6A4LMNAMAPTSMN1; SMN2
SCHEMBL8551516 0.81 DRD2 (0.40) DRD2SLC6A4NPY5R
SCHEMBL8551288 0.79 HTR1D (0.40) DRD2SLC6A4NPY5RLMNAMAPT
SCHEMBL8550058 0.79 DRD2 (0.41) DRD2SLC6A4NPY5RHTR1DHTR1B
SCHEMBL8552124 0.77 DRD2 (0.43) DRD2SLC6A4NPY5RLMNAMAPT
SCHEMBL8547871 0.75 HTR1D (0.43) DRD2LMNAMAPTTDP1HTR1D
SCHEMBL8704937 0.75 DRD2 (0.44) DRD2SLC6A4NPY5RLMNAMAPT
SCHEMBL8547892 0.75 HTR1D (0.46) TDP1HTR1DHTR1BL3MBTL1

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