SCHEMBL8553565

SCHEMBL8553565

CCC(C)S(=O)(=O)c1ccccc1C(=O)Nc1ccc2scc(C3CCN(C(C)C)CC3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 1/20 0.36
DRD2 P14416 1/20 0.36
SLC6A4 P31645 1/20 0.36
NFATC1 O95644 1/20 0.35
MAOB P27338 1/20 0.34
CCR8 P51685 6/20 0.34
TRPV4 Q9HBA0 1/20 0.34
RORC P51449 1/20 0.33
F10 P00742 4/20 0.33
NR3C1 P04150 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE7A Q13946 1/20 0.33
ALDH1A1 P00352 1/20 0.33
F2 P00734 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
SCHEMBL8553560 0.87 DRD2 (0.37) MAPTMEN1USP2KMT2ADRD2
SCHEMBL7483905 0.84 HTR1D (0.50) DRD2
SCHEMBL8552230 0.84 DRD2 (0.41) DRD2
SCHEMBL8548010 0.81 DRD2 (0.40) MAPTMEN1USP2KMT2ADRD2
SCHEMBL8552547 0.78 DRD2 (0.47) MAPTMEN1USP2KMT2ADRD2
SCHEMBL8552124 0.76 DRD2 (0.43) MAPTMEN1USP2KMT2ADRD2
SCHEMBL8548444 0.75 ALDH1A1 (0.39) DRD2SLC6A4TRPV4RORCALDH1A1
SCHEMBL8547967 0.75 MAPT (0.46) MAPTMEN1KMT2AALDH1A1
SCHEMBL8552303 0.74 RAB9A (0.43) RORC
SCHEMBL8704365 0.74 DRD2 (0.42) MAPTMEN1KMT2ADRD2SLC6A4

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