SCHEMBL8553073

SCHEMBL8553073

CCCCCN1CCC(c2csc3ccc(NC(=O)c4ccco4)cc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.46
SLC6A4 P31645 1/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 4/20 0.46
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTR1D P28221 6/20 0.42
HTR1B P28222 5/20 0.42
CHRM2 P08172 1/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL8549937 0.99 DRD2 (0.46) DRD2SLC6A4MEN1KMT2AMAPT
SCHEMBL8552316 0.90 NPC1 (0.54) DRD2SLC6A4MEN1KMT2AMAPT
SCHEMBL8547499 0.85 HTR1D (0.46) DRD2SLC6A4RAB9AHTR1DHTR1B
SCHEMBL8553071 0.84 KMT2A (0.47) MEN1KMT2AMAPTLMNANPC1
SCHEMBL8548023 0.84 DRD2 (0.50) DRD2SLC6A4MEN1KMT2AMAPT
SCHEMBL8551620 0.84 DRD2 (0.48) DRD2SLC6A4MEN1KMT2AMAPT
SCHEMBL8702974 0.83 DRD2 (0.53) DRD2SLC6A4NPC1RAB9AHTR1D
SCHEMBL7476227 0.83 HTR1D (0.62) DRD2HTR1DHTR1BCHRM2
SCHEMBL8590783 0.82 DRD2 (0.46) DRD2SLC6A4HTR1DHTR1BCHRM2
SCHEMBL7483296 0.82 HTR1D (0.64) DRD2HTR1DHTR1BCHRM2

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