SCHEMBL8553560

SCHEMBL8553560

CCCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc2scc(C3CCN(C(C)C)CC3)c2c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.37
SLC6A4 P31645 1/20 0.37
NAAA Q02083 1/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
KMT2A Q03164 1/20 0.35
NFATC1 O95644 1/20 0.34
CCR8 P51685 7/20 0.34
MAOB P27338 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
RORC P51449 1/20 0.33
F10 P00742 2/20 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
SCHEMBL8553565 0.87 MAPT (0.36) DRD2SLC6A4MAPTMEN1USP2
SCHEMBL7483910 0.84 HTR1D (0.49) DRD2
SCHEMBL8552238 0.84 DRD2 (0.40) DRD2SLC6A4
SCHEMBL30909025 0.84 HTR1D (0.49) DRD2
SCHEMBL8552547 0.82 DRD2 (0.47) DRD2SLC6A4MAPTMEN1USP2
SCHEMBL8548010 0.78 DRD2 (0.40) DRD2SLC6A4MAPTMEN1USP2
SCHEMBL8548023 0.76 DRD2 (0.50) DRD2SLC6A4MAPTMEN1USP2
SCHEMBL8553277 0.76 DRD2 (0.49) DRD2SLC6A4USP2KMT2A
SCHEMBL8547946 0.75 KMT2A (0.41) DRD2SLC6A4MAPTMEN1KMT2A
SCHEMBL8552124 0.74 DRD2 (0.43) DRD2SLC6A4MAPTMEN1USP2

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